2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

C13H12N2O4 — CID 66335854

IUPAC2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1cccc(C)c1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7-4-3-5-9(10(7)13(17)18)15-12(16)11-8(2)6-14-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXEJLOBJQKCOOC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid

2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 66335854) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID66335854
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1cccc(C)c1C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7-4-3-5-9(10(7)13(17)18)15-12(16)11-8(2)6-14-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXEJLOBJQKCOOC-UHFFFAOYSA-N
XLogP2.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
2-acetamido-6-methylbenzoic acid
CID 2801400
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336599
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
4-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 110862361
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 66335854) is 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cnoc1C(=O)Nc1cccc(C)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is BXEJLOBJQKCOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-4-3-5-9(10(7)13(17)18)15-12(16)11-8(2)6-14-19-11/h3-6H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66335854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).