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

C13H12N2O4 — CID 66334775

IUPAC2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15(2)10-6-4-3-5-9(10)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyQQXRBWIDCZKIGY-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.96
Rot. Bonds3

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

2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 66334775) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID66334775
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15(2)10-6-4-3-5-9(10)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyQQXRBWIDCZKIGY-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

2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
CID 43355762
N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66335744
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
3-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 110836444
2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
CID 62057527
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
CID 43823107

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 66334775) is 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cnoc1C(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is QQXRBWIDCZKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-7-14-19-11(8)12(16)15(2)10-6-4-3-5-9(10)13(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
2-[methyl-(4-methyl-1,2-oxazole-5-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 2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66334775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).