2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid

C13H11ClN2O4 — CID 81361370

IUPAC2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O4/c1-6-11(20-7(2)15-6)12(17)16-8-3-4-9(13(18)19)10(14)5-8/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPWEOHSHALZHSCW-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid

2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 81361370) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID81361370
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)o1
InChIInChI=1S/C13H11ClN2O4/c1-6-11(20-7(2)15-6)12(17)16-8-3-4-9(13(18)19)10(14)5-8/h3-5H,1-2H3,(H,16,17)(H,18,19)
InChIKeyPWEOHSHALZHSCW-UHFFFAOYSA-N
XLogP2.90
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
CID 124607211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid (CID 81361370) is 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid is Cc1nc(C)c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)o1.
What is the InChIKey of 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is PWEOHSHALZHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-6-11(20-7(2)15-6)12(17)16-8-3-4-9(13(18)19)10(14)5-8/h3-5H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid?
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 294.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81361370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).