4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid

C14H10N2O4 — CID 59831041

IUPAC4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
SMILESNc1cc2oc(-c3ccc(C(=O)O)cc3)nc2cc1O
InChIInChI=1S/C14H10N2O4/c15-9-5-12-10(6-11(9)17)16-13(20-12)7-1-3-8(4-2-7)14(18)19/h1-6,17H,15H2,(H,18,19)
InChIKeyJXNLMGYPLDMBGQ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.48
Rot. Bonds2

About 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid

4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid (PubChem CID 59831041) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
PubChem CID59831041
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid
SMILESNc1cc2oc(-c3ccc(C(=O)O)cc3)nc2cc1O
InChIInChI=1S/C14H10N2O4/c15-9-5-12-10(6-11(9)17)16-13(20-12)7-1-3-8(4-2-7)14(18)19/h1-6,17H,15H2,(H,18,19)
InChIKeyJXNLMGYPLDMBGQ-UHFFFAOYSA-N
XLogP2.48
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)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

4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
methyl 4-(5-acetamido-6-amino-1,3-benzoxazol-2-yl)benzoate
CID 774869
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11688381
2-[4-(azetidin-1-yl)phenyl]-1,3-benzoxazole-5-carboxylic acid
CID 11536661
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001
3-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-hydroxybenzoic acid
CID 135700349
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid?
The IUPAC name of 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid (CID 59831041) is 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid?
The canonical SMILES for 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid is Nc1cc2oc(-c3ccc(C(=O)O)cc3)nc2cc1O.
What is the InChIKey of 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid?
The InChIKey is JXNLMGYPLDMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c15-9-5-12-10(6-11(9)17)16-13(20-12)7-1-3-8(4-2-7)14(18)19/h1-6,17H,15H2,(H,18,19).
What are the key properties of 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid?
4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid has a molecular weight of 270.24 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-hydroxy-1,3-benzoxazol-2-yl)benzoic acid is sourced from PubChem (CID 59831041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).