2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide

C12H8ClN3O2 — CID 4318316

IUPAC2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C12H8ClN3O2/c1-7-9(6-14)12(18-16-7)15-11(17)8-4-2-3-5-10(8)13/h2-5H,1H3,(H,15,17)
InChIKeySSVQOGCTKMVLCP-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide

2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 4318316) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID4318316
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccccc2Cl)c1C#N
InChIInChI=1S/C12H8ClN3O2/c1-7-9(6-14)12(18-16-7)15-11(17)8-4-2-3-5-10(8)13/h2-5H,1H3,(H,15,17)
InChIKeySSVQOGCTKMVLCP-UHFFFAOYSA-N
XLogP2.76
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
CID 67363494
2-chloro-N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 7090544
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
methyl 3-chloro-2-cyanobenzoate
CID 55264601
2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
CID 110636120
2-chloro-N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]benzamide
CID 23793096
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide (CID 4318316) is 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide is Cc1noc(NC(=O)c2ccccc2Cl)c1C#N.
What is the InChIKey of 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is SSVQOGCTKMVLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c1-7-9(6-14)12(18-16-7)15-11(17)8-4-2-3-5-10(8)13/h2-5H,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide?
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 261.67 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 4318316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).