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Isoxazoles

Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1 – 15 of 100 results
1

(3-Methylisoxazol-5-yl)methanol, 97%, Thermo Scientific™

CAS: 14716-89-3 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD09859210 InChI Key: OFSDWHRZVRCPBR-UHFFFAOYSA-N Synonym: 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole PubChem CID: 10820493 IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol SMILES: CC1=NOC(=C1)CO

PubChem CID 10820493
CAS 14716-89-3
Molecular Weight (g/mol) 113.116
MDL Number MFCD09859210
SMILES CC1=NOC(=C1)CO
Synonym 3-methylisoxazol-5-yl methanol,3-methyl-1,2-oxazol-5-yl methanol,3-methyl-5-isoxazolemethanol,5-isoxazolemethanol,3-methyl,3-methylisoxazol-5-yl methan-1-ol,3-methylisoxazole-5-methanol,5-isoxazolemethanol, 3-methyl,3-methyl-5-isoxazolyl methanol,5-hydroxymethyl-3-methylisoxazole,5-hydroxymethyl-3-methyl-isoxazole
IUPAC Name (3-methyl-1,2-oxazol-5-yl)methanol
InChI Key OFSDWHRZVRCPBR-UHFFFAOYSA-N
Molecular Formula C5H7NO2
2

5-Methylisoxazole-3-carbonyl chloride, 97%, Thermo Scientific™

CAS: 39499-34-8 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD00085127 InChI Key: XMVNMWDLOGSUSM-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride PubChem CID: 2736894 IUPAC Name: 5-methyl-1,2-oxazole-3-carbonyl chloride SMILES: CC1=CC(=NO1)C(Cl)=O

PubChem CID 2736894
CAS 39499-34-8
Molecular Weight (g/mol) 145.54
MDL Number MFCD00085127
SMILES CC1=CC(=NO1)C(Cl)=O
Synonym 5-methylisoxazole-3-carbonyl chloride,3-isoxazolecarbonyl chloride, 5-methyl,5-methyl-3-isoxazolecarbonyl chloride,5-methyl-isoxazole-3-carbonyl chloride,acmc-209j5v,5-methyl-3-isoxazoyl chloride,5-methylisoxazole carbonyl chloride,5-methylisoxazol-3-ylcarbonyl chloride,3-isoxazolecarbonylchloride, 5-methyl,5-methyl isoxazole-3-carbonyl chloride
IUPAC Name 5-methyl-1,2-oxazole-3-carbonyl chloride
InChI Key XMVNMWDLOGSUSM-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
3

Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate, 90%, Thermo Scientific™

CAS: 123770-62-7 Molecular Formula: C7H9NO4 Molecular Weight (g/mol): 171.152 MDL Number: MFCD08273501 InChI Key: ZWVVVEYXDQMHGQ-UHFFFAOYSA-N Synonym: ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate PubChem CID: 8027233 IUPAC Name: ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(=C1)CO

PubChem CID 8027233
CAS 123770-62-7
Molecular Weight (g/mol) 171.152
MDL Number MFCD08273501
SMILES CCOC(=O)C1=NOC(=C1)CO
Synonym ethyl 5-hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-1,2-oxazole-3-carboxylate,5-hydroxymethylisoxazole-3-carboxylic acid ethyl ester,3-isoxazolecarboxylicacid, 5-hydroxymethyl-, ethyl ester,3-isoxazolecarboxylic acid, 5-hydroxymethyl-, ethyl ester,acmc-1c7ap,ethyl 5-hydroxymethylisoxazole-3-carboxylate,ethyl 5 hydroxymethyl isoxazole-3-carboxylate,ethyl 5-hydroxymethyl-isoxazole-3-carboxylate
IUPAC Name ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
InChI Key ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
Molecular Formula C7H9NO4
6

5-(2-Methoxyphenyl)isoxazole, 95%, Thermo Scientific™

CAS: 874800-57-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD05664749 InChI Key: DPPFYBGCJJBZEH-UHFFFAOYSA-N Synonym: 5-2-methoxyphenyl isoxazole,5-2-methoxyphenyl-1,2-oxazole PubChem CID: 21134354 IUPAC Name: 5-(2-methoxyphenyl)-1,2-oxazole SMILES: COC1=CC=CC=C1C2=CC=NO2

PubChem CID 21134354
CAS 874800-57-4
Molecular Weight (g/mol) 175.187
MDL Number MFCD05664749
SMILES COC1=CC=CC=C1C2=CC=NO2
Synonym 5-2-methoxyphenyl isoxazole,5-2-methoxyphenyl-1,2-oxazole
IUPAC Name 5-(2-methoxyphenyl)-1,2-oxazole
InChI Key DPPFYBGCJJBZEH-UHFFFAOYSA-N
Molecular Formula C10H9NO2
7

5-Methylisoxazole-3-carboxylic acid, 98+%, Thermo Scientific Chemicals

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
8

Ethyl 3-ethyl-5-methylisoxazole-4-carboxylate, 98%, Thermo Scientific™

CAS: 53064-41-8 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00014094 InChI Key: JDWLDZUUTIPZHV-UHFFFAOYSA-N Synonym: ethyl 3-ethyl-5-methylisoxazole-4-carboxylate,ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate,3-ethyl-5-methyl-4-isoxazolecarboxylicacid ethylester,3-ethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester,acmc-1b03d,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester PubChem CID: 3745090 IUPAC Name: ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate SMILES: CCC1=NOC(=C1C(=O)OCC)C

PubChem CID 3745090
CAS 53064-41-8
Molecular Weight (g/mol) 183.207
MDL Number MFCD00014094
SMILES CCC1=NOC(=C1C(=O)OCC)C
Synonym ethyl 3-ethyl-5-methylisoxazole-4-carboxylate,ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate,3-ethyl-5-methyl-4-isoxazolecarboxylicacid ethylester,3-ethyl-5-methyl-isoxazole-4-carboxylic acid ethyl ester,acmc-1b03d,4-isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester
IUPAC Name ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
InChI Key JDWLDZUUTIPZHV-UHFFFAOYSA-N
Molecular Formula C9H13NO3
9

3-Methylisoxazole-5-carbonyl chloride, 95%, Thermo Scientific™

CAS: 49783-72-4 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.54 MDL Number: MFCD09817464 InChI Key: VUBCNGCMOPTDED-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carbonyl chloride,3-methyl-5-isoxazolecarbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl,aronis23810,3-methylisoxazol-5-carbonyl chloride,3-methyl-isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl-9ci PubChem CID: 12905099 IUPAC Name: 3-methyl-1,2-oxazole-5-carbonyl chloride SMILES: CC1=NOC(=C1)C(Cl)=O

PubChem CID 12905099
CAS 49783-72-4
Molecular Weight (g/mol) 145.54
MDL Number MFCD09817464
SMILES CC1=NOC(=C1)C(Cl)=O
Synonym 3-methylisoxazole-5-carbonyl chloride,3-methyl-5-isoxazolecarbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl,aronis23810,3-methylisoxazol-5-carbonyl chloride,3-methyl-isoxazole-5-carbonyl chloride,5-isoxazolecarbonyl chloride, 3-methyl-9ci
IUPAC Name 3-methyl-1,2-oxazole-5-carbonyl chloride
InChI Key VUBCNGCMOPTDED-UHFFFAOYSA-N
Molecular Formula C5H4ClNO2
11

3-Methylisoxazole-5-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 4857-42-5 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD00464222 InChI Key: HXIYCKAAQPHZBM-UHFFFAOYSA-N Synonym: 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519 PubChem CID: 853085 IUPAC Name: 3-methyl-1,2-oxazole-5-carboxylic acid SMILES: CC1=NOC(=C1)C(=O)O

PubChem CID 853085
CAS 4857-42-5
Molecular Weight (g/mol) 127.099
MDL Number MFCD00464222
SMILES CC1=NOC(=C1)C(=O)O
Synonym 3-methylisoxazole-5-carboxylic acid,3-methyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-methyl,3-methyl-isoxazole-5-carboxylic acid,5-carboxy-3-methylisoxazole,5-isoxazolecarboxylicacid, 3-methyl,3-methylisoxazole-5-carboxylicacid,acmc-1aruu,3-methyl-5-carboxyisoxazole,aronis24519
IUPAC Name 3-methyl-1,2-oxazole-5-carboxylic acid
InChI Key HXIYCKAAQPHZBM-UHFFFAOYSA-N
Molecular Formula C5H5NO3
12

3-(Chloromethyl)-5-methylisoxazole, 97%, Thermo Scientific™

CAS: 35166-37-1 Molecular Formula: C5H6ClNO Molecular Weight (g/mol): 131.56 MDL Number: MFCD00221166 InChI Key: FEXTXBAFBURKGS-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole PubChem CID: 2735763 IUPAC Name: 3-(chloromethyl)-5-methyl-1,2-oxazole SMILES: CC1=CC(CCl)=NO1

PubChem CID 2735763
CAS 35166-37-1
Molecular Weight (g/mol) 131.56
MDL Number MFCD00221166
SMILES CC1=CC(CCl)=NO1
Synonym 3-chloromethyl-5-methylisoxazole,3-chloromethyl-5-methyl-1,2-oxazole,3-chloromethyl-5-methyl-isoxazole,pubchem8710,zlchem 1024,acmc-209idp,3-chloromethyl-5-methyisoxazole,3-choromethyl-5-methylisoxazole,5-methyl-3-chloromethylisoxazole
IUPAC Name 3-(chloromethyl)-5-methyl-1,2-oxazole
InChI Key FEXTXBAFBURKGS-UHFFFAOYSA-N
Molecular Formula C5H6ClNO
13

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
14

3-(Chloromethyl)-5-phenylisoxazole, ≥97%, Thermo Scientific™

CAS: 14731-10-3 Molecular Formula: C10H8ClNO Molecular Weight (g/mol): 193.63 MDL Number: MFCD01444154 InChI Key: MLJJRVMANUGETQ-UHFFFAOYSA-N PubChem CID: 1484769 IUPAC Name: 3-(chloromethyl)-5-phenyl-1,2-oxazole SMILES: ClCC1=NOC(=C1)C1=CC=CC=C1

PubChem CID 1484769
CAS 14731-10-3
Molecular Weight (g/mol) 193.63
MDL Number MFCD01444154
SMILES ClCC1=NOC(=C1)C1=CC=CC=C1
IUPAC Name 3-(chloromethyl)-5-phenyl-1,2-oxazole
InChI Key MLJJRVMANUGETQ-UHFFFAOYSA-N
Molecular Formula C10H8ClNO
15

Isoxazole-5-carbothioamide, 97%, Thermo Scientific™

CAS: 175334-72-2 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00276995 InChI Key: CEDRGDFENMZKCQ-UHFFFAOYSA-N Synonym: isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione PubChem CID: 2799515 IUPAC Name: 1,2-oxazole-5-carbothioamide SMILES: NC(=S)C1=CC=NO1

PubChem CID 2799515
CAS 175334-72-2
Molecular Weight (g/mol) 128.15
MDL Number MFCD00276995
SMILES NC(=S)C1=CC=NO1
Synonym isoxazole-5-carbothioamide,5-isoxazolecarbothioamide,isoxazole-5-carbothioic acid amide,5-isoxazolecarbothioamide 9ci,aminoisoxazol-5-ylmethane-1-thione
IUPAC Name 1,2-oxazole-5-carbothioamide
InChI Key CEDRGDFENMZKCQ-UHFFFAOYSA-N
Molecular Formula C4H4N2OS