4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

C12H9ClN2O4 — CID 66334329

IUPAC4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-9-4-7(13)2-3-8(9)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyNILRNWMWPYCMMJ-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 66334329) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID66334329
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-9-4-7(13)2-3-8(9)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyNILRNWMWPYCMMJ-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-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 86768677
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 66334329) is 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cnoc1C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is NILRNWMWPYCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-6-5-14-19-10(6)11(16)15-9-4-7(13)2-3-8(9)12(17)18/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
4-chloro-2-[(4-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 4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66334329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).