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

C13H12N2O4 — CID 66334630

IUPAC3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
SMILESCc1cnoc1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-8-6-15-19-11(8)12(16)14-7-9-3-2-4-10(5-9)13(17)18/h2-6H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyDKEODQJIBVXZMS-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.61
Rot. Bonds4

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

3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid (PubChem CID 66334630) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
PubChem CID66334630
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
SMILESCc1cnoc1C(=O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-8-6-15-19-11(8)12(16)14-7-9-3-2-4-10(5-9)13(17)18/h2-6H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyDKEODQJIBVXZMS-UHFFFAOYSA-N
XLogP1.61
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
CID 82808720
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid (CID 66334630) is 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid is Cc1cnoc1C(=O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid?
The InChIKey is DKEODQJIBVXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-6-15-19-11(8)12(16)14-7-9-3-2-4-10(5-9)13(17)18/h2-6H,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid?
3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 66334630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).