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

C13H12N2O4 — CID 104697982

IUPAC4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCc1oncc1C(=O)N(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15(2)10-5-3-9(4-6-10)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyYUFQLFPRFOADOE-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.96
Rot. Bonds3

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

4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (PubChem CID 104697982) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
PubChem CID104697982
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCc1oncc1C(=O)N(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15(2)10-5-3-9(4-6-10)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyYUFQLFPRFOADOE-UHFFFAOYSA-N
XLogP1.96
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N,5-diphenyl-1,2-oxazole-4-carboxamide
CID 110649623
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
CID 110649624
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
4-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]benzoic acid
CID 104698148
4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid
CID 104698174
N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 80659052
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 104555676
4-[methyl(phenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 4915032
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
5-methyl-1,2-oxazole-4-carboxamide
CID 18366019
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (CID 104697982) is 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is Cc1oncc1C(=O)N(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The InChIKey is YUFQLFPRFOADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-11(7-14-19-8)12(16)15(2)10-5-3-9(4-6-10)13(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104697982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).