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Azolines

Organic heterocyclic compounds that consist of a five-membered ring made up of four carbon atoms and one nitrogen atom, and only one carbon - carbon double bond.
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31 – 45 of 262 results
31

Creatinine, 98%

CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N

PubChem CID 588
CAS 60-27-5
Molecular Weight (g/mol) 113.12
ChEBI CHEBI:16737
SMILES CN1CC(=O)N=C1N
Synonym creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu
IUPAC Name 2-amino-3-methyl-4H-imidazol-5-one
InChI Key DDRJAANPRJIHGJ-UHFFFAOYSA-N
Molecular Formula C4H7N3O
32

Serotonin creatinine sulfate monohydrate, 99%

CAS: 61-47-2 Molecular Formula: H2SO4·H2O Molecular Weight (g/mol): 405.42 MDL Number: MFCD00149653 InChI Key: BKCXVJIGPVULPX-UHFFFAOYSA-N Synonym: serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate PubChem CID: 164531 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate SMILES: CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O

PubChem CID 164531
CAS 61-47-2
Molecular Weight (g/mol) 405.42
MDL Number MFCD00149653
SMILES CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O
Synonym serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate
IUPAC Name 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate
InChI Key BKCXVJIGPVULPX-UHFFFAOYSA-N
Molecular Formula H2SO4·H2O
33

2-Oxazolidone, 98%

CAS: 497-25-6 Molecular Formula: C3H5NO2 Molecular Weight (g/mol): 87.08 MDL Number: MFCD00005268 InChI Key: IZXIZTKNFFYFOF-UHFFFAOYSA-N Synonym: 2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone PubChem CID: 73949 ChEBI: CHEBI:1237 IUPAC Name: 1,3-oxazolidin-2-one SMILES: O=C1NCCO1

PubChem CID 73949
CAS 497-25-6
Molecular Weight (g/mol) 87.08
ChEBI CHEBI:1237
MDL Number MFCD00005268
SMILES O=C1NCCO1
Synonym 2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone
IUPAC Name 1,3-oxazolidin-2-one
InChI Key IZXIZTKNFFYFOF-UHFFFAOYSA-N
Molecular Formula C3H5NO2
34

2-Mercaptoimidazole, 98+%

CAS: 872-35-5 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005188 InChI Key: OXFSTTJBVAAALW-UHFFFAOYSA-N Synonym: 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole PubChem CID: 1201386 SMILES: SC1=NC=CN1

PubChem CID 1201386
CAS 872-35-5
Molecular Weight (g/mol) 100.14
MDL Number MFCD00005188
SMILES SC1=NC=CN1
Synonym 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole
InChI Key OXFSTTJBVAAALW-UHFFFAOYSA-N
Molecular Formula C3H4N2S
35

Irbesartan 98.0+%, TCI America™
SDP

CAS: 138402-11-6 Molecular Formula: C25H28N6O Molecular Weight (g/mol): 428.54 MDL Number: MFCD00864464 InChI Key: YOSHYTLCDANDAN-UHFFFAOYSA-N PubChem CID: 3749 ChEBI: CHEBI:5959 IUPAC Name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

PubChem CID 3749
CAS 138402-11-6
Molecular Weight (g/mol) 428.54
ChEBI CHEBI:5959
MDL Number MFCD00864464
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
IUPAC Name 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Molecular Formula C25H28N6O
36

(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine 98.0+%, TCI America™
SDP

CAS: 131864-67-0 Molecular Formula: C17H23N3O2 Molecular Weight (g/mol): 301.39 MDL Number: MFCD01321334 InChI Key: CSGQGLBCAHGJDR-GJZGRUSLSA-N PubChem CID: 688213 IUPAC Name: (4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole SMILES: CC(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)C

PubChem CID 688213
CAS 131864-67-0
Molecular Weight (g/mol) 301.39
MDL Number MFCD01321334
SMILES CC(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)C
IUPAC Name (4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI Key CSGQGLBCAHGJDR-GJZGRUSLSA-N
Molecular Formula C17H23N3O2
37

(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine 95.0+%, TCI America™
SDP

CAS: 174500-20-0 Molecular Formula: C23H19N3O2 Molecular Weight (g/mol): 369.424 MDL Number: MFCD01863586 InChI Key: HLHBIMJNCKZZQO-NHCUHLMSSA-N Synonym: 2,6-bis s-4-phenyl-4,5-dihydrooxazol-2-yl pyridine,2,6-bis 4s-phenyl-2-oxazolin-2-yl pyridine,s,s-ph-pybox,2,6-bis 4s-4-phenyl-2-oxazolinyl pyridine,--2,6-bis 4s-4-phenyl-2-oxazolin-2-yl pyridine,ph-pybox, s,s,unii-5r62cxu58k,s,s-2,6-bis 4-phenyl-2-oxazolin-2-yl pyridine,pyridine, 2,6-bis 4s-4,5-dihydro-4-phenyl-2-oxazolyl,2,6-bis 4s-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl pyridine PubChem CID: 7010100 IUPAC Name: (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole SMILES: C1C(N=C(O1)C2=NC(=CC=C2)C3=NC(CO3)C4=CC=CC=C4)C5=CC=CC=C5

PubChem CID 7010100
CAS 174500-20-0
Molecular Weight (g/mol) 369.424
MDL Number MFCD01863586
SMILES C1C(N=C(O1)C2=NC(=CC=C2)C3=NC(CO3)C4=CC=CC=C4)C5=CC=CC=C5
Synonym 2,6-bis s-4-phenyl-4,5-dihydrooxazol-2-yl pyridine,2,6-bis 4s-phenyl-2-oxazolin-2-yl pyridine,s,s-ph-pybox,2,6-bis 4s-4-phenyl-2-oxazolinyl pyridine,--2,6-bis 4s-4-phenyl-2-oxazolin-2-yl pyridine,ph-pybox, s,s,unii-5r62cxu58k,s,s-2,6-bis 4-phenyl-2-oxazolin-2-yl pyridine,pyridine, 2,6-bis 4s-4,5-dihydro-4-phenyl-2-oxazolyl,2,6-bis 4s-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl pyridine
IUPAC Name (4S)-4-phenyl-2-[6-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI Key HLHBIMJNCKZZQO-NHCUHLMSSA-N
Molecular Formula C23H19N3O2
38

Mefenpyr-diethyl 98.0+%, TCI America™
SDP

CAS: 135590-91-9 Molecular Formula: C16H18Cl2N2O4 Molecular Weight (g/mol): 373.23 MDL Number: MFCD09753375 InChI Key: OPGCOAPTHCZZIW-UHFFFAOYSA-N Synonym: Diethyl 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylate, 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic Acid Diethyl Ester, Diethyl 1-(3,4-Dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylate, 1-(3,4- PubChem CID: 10937610 IUPAC Name: diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate SMILES: CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl

PubChem CID 10937610
CAS 135590-91-9
Molecular Weight (g/mol) 373.23
MDL Number MFCD09753375
SMILES CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl
Synonym Diethyl 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylate, 1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic Acid Diethyl Ester, Diethyl 1-(3,4-Dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylate, 1-(3,4-
IUPAC Name diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
InChI Key OPGCOAPTHCZZIW-UHFFFAOYSA-N
Molecular Formula C16H18Cl2N2O4
39

2-Methyl-2-oxazoline 98.0+%, TCI America™
SDP

CAS: 1120-64-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005298 InChI Key: GUXJXWKCUUWCLX-UHFFFAOYSA-N Synonym: 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline PubChem CID: 70713 ChEBI: CHEBI:53614 IUPAC Name: 2-methyl-4,5-dihydro-1,3-oxazole SMILES: CC1=NCCO1

PubChem CID 70713
CAS 1120-64-5
Molecular Weight (g/mol) 85.11
ChEBI CHEBI:53614
MDL Number MFCD00005298
SMILES CC1=NCCO1
Synonym 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline
IUPAC Name 2-methyl-4,5-dihydro-1,3-oxazole
InChI Key GUXJXWKCUUWCLX-UHFFFAOYSA-N
Molecular Formula C4H7NO
40

4-Phenyl-1,2,4-triazoline-3,5-dione, TCI America™
SDP

CAS: 4233-33-4 Molecular Formula: C8H5N3O2 Molecular Weight (g/mol): 175.15 MDL Number: MFCD00003148 InChI Key: ISULLEUFOQSBGY-UHFFFAOYSA-N Synonym: PTAD PubChem CID: 77913 IUPAC Name: 4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione SMILES: O=C1N=NC(=O)N1C1=CC=CC=C1

PubChem CID 77913
CAS 4233-33-4
Molecular Weight (g/mol) 175.15
MDL Number MFCD00003148
SMILES O=C1N=NC(=O)N1C1=CC=CC=C1
Synonym PTAD
IUPAC Name 4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione
InChI Key ISULLEUFOQSBGY-UHFFFAOYSA-N
Molecular Formula C8H5N3O2
41

2-Amino-5-bromothiazole Hydrobromide 95.0+%, TCI America™
SDP

CAS: 61296-22-8 Molecular Formula: C3H4Br2N2S Molecular Weight (g/mol): 259.947 MDL Number: MFCD00012712 InChI Key: NUSVDASTCPBUIP-UHFFFAOYSA-N Synonym: 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7 PubChem CID: 2723848 IUPAC Name: 5-bromo-1,3-thiazol-2-amine;hydrobromide SMILES: C1=C(SC(=N1)N)Br.Br

PubChem CID 2723848
CAS 61296-22-8
Molecular Weight (g/mol) 259.947
MDL Number MFCD00012712
SMILES C1=C(SC(=N1)N)Br.Br
Synonym 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7
IUPAC Name 5-bromo-1,3-thiazol-2-amine;hydrobromide
InChI Key NUSVDASTCPBUIP-UHFFFAOYSA-N
Molecular Formula C3H4Br2N2S
42

2-Mercaptobenzimidazole 98.0+%, TCI America™
SDP

CAS: 583-39-1 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD00466107 InChI Key: YHMYGUUIMTVXNW-UHFFFAOYSA-N Synonym: 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb PubChem CID: 707035 IUPAC Name: 2,3-dihydro-1H-1,3-benzodiazole-2-thione SMILES: S=C1NC2=CC=CC=C2N1

PubChem CID 707035
CAS 583-39-1
Molecular Weight (g/mol) 150.20
MDL Number MFCD00466107
SMILES S=C1NC2=CC=CC=C2N1
Synonym 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb
IUPAC Name 2,3-dihydro-1H-1,3-benzodiazole-2-thione
InChI Key YHMYGUUIMTVXNW-UHFFFAOYSA-N
Molecular Formula C7H6N2S
43

2-Aminothiazoline Hydrochloride 98.0+%, TCI America™
SDP

CAS: 3882-98-2 Molecular Formula: C3H7ClN2S Molecular Weight (g/mol): 138.613 MDL Number: MFCD00012709 InChI Key: CODJLHDDIDUKMD-UHFFFAOYSA-N PubChem CID: 520926 IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride SMILES: C1CSC(=N1)N.Cl

PubChem CID 520926
CAS 3882-98-2
Molecular Weight (g/mol) 138.613
MDL Number MFCD00012709
SMILES C1CSC(=N1)N.Cl
IUPAC Name 4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
InChI Key CODJLHDDIDUKMD-UHFFFAOYSA-N
Molecular Formula C3H7ClN2S
44

L-2-Thiazolidinone-4-carboxylic Acid 97.0+%, TCI America™
SDP

CAS: 19771-63-2 Molecular Formula: C4H5NO3S Molecular Weight (g/mol): 147.148 MDL Number: MFCD00066092 InChI Key: BMLMGCPTLHPWPY-REOHCLBHSA-N Synonym: procysteine,r-2-oxothiazolidine-4-carboxylic acid,4r-2-oxo-1,3-thiazolidine-4-carboxylic acid,l-2-oxothiazolidine-4-carboxylate,oxothiazolidinecarboxylic acid,l-2-oxothiazolidine-4-carboxylic acid,4-thiazolidinecarboxylic acid, 2-oxo-, 4r,ccris 7672,oxothiazolidine carboxylate, l,r---2-oxothiazolidine-4-carboxylic acid PubChem CID: 72390 IUPAC Name: (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid SMILES: C1C(NC(=O)S1)C(=O)O

PubChem CID 72390
CAS 19771-63-2
Molecular Weight (g/mol) 147.148
MDL Number MFCD00066092
SMILES C1C(NC(=O)S1)C(=O)O
Synonym procysteine,r-2-oxothiazolidine-4-carboxylic acid,4r-2-oxo-1,3-thiazolidine-4-carboxylic acid,l-2-oxothiazolidine-4-carboxylate,oxothiazolidinecarboxylic acid,l-2-oxothiazolidine-4-carboxylic acid,4-thiazolidinecarboxylic acid, 2-oxo-, 4r,ccris 7672,oxothiazolidine carboxylate, l,r---2-oxothiazolidine-4-carboxylic acid
IUPAC Name (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
InChI Key BMLMGCPTLHPWPY-REOHCLBHSA-N
Molecular Formula C4H5NO3S
45

2,4,4-Trimethyl-2-oxazoline 98.0+%, TCI America™
SDP

CAS: 1772-43-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00005301 InChI Key: HZRZMHNRCSIQFT-UHFFFAOYSA-N Synonym: 2,4,4-trimethyl-2-oxazoline,2,4,4-trimethyl-4,5-dihydrooxazole,4,5-dihydro-2,4,4-trimethyloxazole,oxazole, 4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyloxazoline,oxazole,4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyl-1,3-oxazoline,pubchem24351,acmc-1bsc7,2,4,4-trimethyl-5h-oxazole PubChem CID: 74496 IUPAC Name: 2,4,4-trimethyl-5H-1,3-oxazole SMILES: CC1=NC(CO1)(C)C

PubChem CID 74496
CAS 1772-43-6
Molecular Weight (g/mol) 113.16
MDL Number MFCD00005301
SMILES CC1=NC(CO1)(C)C
Synonym 2,4,4-trimethyl-2-oxazoline,2,4,4-trimethyl-4,5-dihydrooxazole,4,5-dihydro-2,4,4-trimethyloxazole,oxazole, 4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyloxazoline,oxazole,4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyl-1,3-oxazoline,pubchem24351,acmc-1bsc7,2,4,4-trimethyl-5h-oxazole
IUPAC Name 2,4,4-trimethyl-5H-1,3-oxazole
InChI Key HZRZMHNRCSIQFT-UHFFFAOYSA-N
Molecular Formula C6H11NO