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

C12H10N2O5 — CID 66336599

IUPAC3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C12H10N2O5/c1-6-5-13-19-10(6)11(16)14-8-3-2-7(12(17)18)4-9(8)15/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyCVQXUSLFJFSXIJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.64
Rot. Bonds3

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

3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (PubChem CID 66336599) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
PubChem CID66336599
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
SMILESCc1cnoc1C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C12H10N2O5/c1-6-5-13-19-10(6)11(16)14-8-3-2-7(12(17)18)4-9(8)15/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKeyCVQXUSLFJFSXIJ-UHFFFAOYSA-N
XLogP1.64
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 66334630
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719
N-(2,6-dimethylphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110857529
4-[[4-(dimethylamino)benzoyl]amino]-3-hydroxybenzoic acid
CID 108744182
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid (CID 66336599) is 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is Cc1cnoc1C(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
The InChIKey is CVQXUSLFJFSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-6-5-13-19-10(6)11(16)14-8-3-2-7(12(17)18)4-9(8)15/h2-5,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid?
3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid has a molecular weight of 262.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66336599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).