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

C13H12N2O4 — CID 28778001

IUPAC4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)on1
InChIInChI=1S/C13H12N2O4/c1-7-3-4-9(13(17)18)6-10(7)14-12(16)11-5-8(2)15-19-11/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyBUCVIJUIGRGTGS-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.24
Rot. Bonds3

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

4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 28778001) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID28778001
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)on1
InChIInChI=1S/C13H12N2O4/c1-7-3-4-9(13(17)18)6-10(7)14-12(16)11-5-8(2)15-19-11/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyBUCVIJUIGRGTGS-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

3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 28778001) is 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)on1.
What is the InChIKey of 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is BUCVIJUIGRGTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-3-4-9(13(17)18)6-10(7)14-12(16)11-5-8(2)15-19-11/h3-6H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
4-methyl-3-[(3-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 4-methyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 28778001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).