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

C12H10N2O5 — CID 28777043

IUPAC2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)no1
InChIInChI=1S/C12H10N2O5/c1-6-4-9(14-19-6)11(16)13-7-2-3-10(15)8(5-7)12(17)18/h2-5,15H,1H3,(H,13,16)(H,17,18)
InChIKeyVAGFFIYSQOAZBZ-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.64
Rot. Bonds3

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

2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (PubChem CID 28777043) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
PubChem CID28777043
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)no1
InChIInChI=1S/C12H10N2O5/c1-6-4-9(14-19-6)11(16)13-7-2-3-10(15)8(5-7)12(17)18/h2-5,15H,1H3,(H,13,16)(H,17,18)
InChIKeyVAGFFIYSQOAZBZ-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (CID 28777043) is 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(O)c(C(=O)O)c2)no1.
What is the InChIKey of 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The InChIKey is VAGFFIYSQOAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-6-4-9(14-19-6)11(16)13-7-2-3-10(15)8(5-7)12(17)18/h2-5,15H,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-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 2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 28777043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).