2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

C12H9ClN2O4 — CID 63722414

IUPAC2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)on1
InChIInChI=1S/C12H9ClN2O4/c1-6-5-9(19-15-6)11(16)14-8-4-2-3-7(13)10(8)12(17)18/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyPSBVVYXGXSAAHA-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 63722414) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID63722414
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)on1
InChIInChI=1S/C12H9ClN2O4/c1-6-5-9(19-15-6)11(16)14-8-4-2-3-7(13)10(8)12(17)18/h2-5H,1H3,(H,14,16)(H,17,18)
InChIKeyPSBVVYXGXSAAHA-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-(3-chloro-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103892968
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 28778001
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 63722414) is 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)on1.
What is the InChIKey of 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is PSBVVYXGXSAAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-6-5-9(19-15-6)11(16)14-8-4-2-3-7(13)10(8)12(17)18/h2-5H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 280.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63722414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).