3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid

C16H12N2O4 — CID 46880468

IUPAC3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1
InChIInChI=1S/C16H12N2O4/c19-13-6-4-12(5-7-13)18-16-17-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9,19H,(H,17,18)(H,20,21)
InChIKeyJQDOJYRZMLGGOM-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.49
Rot. Bonds4

About 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid

3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid (PubChem CID 46880468) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
PubChem CID46880468
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1
InChIInChI=1S/C16H12N2O4/c19-13-6-4-12(5-7-13)18-16-17-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9,19H,(H,17,18)(H,20,21)
InChIKeyJQDOJYRZMLGGOM-UHFFFAOYSA-N
XLogP3.49
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.49
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

3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
CID 144513424
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
CID 71060396
3-[5-(carboxymethyl)furan-2-yl]benzoic acid
CID 84756413

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid (CID 46880468) is 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid is O=C(O)c1cccc(-c2cnc(Nc3ccc(O)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is JQDOJYRZMLGGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-13-6-4-12(5-7-13)18-16-17-9-14(22-16)10-2-1-3-11(8-10)15(20)21/h1-9,19H,(H,17,18)(H,20,21).
What are the key properties of 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid?
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 46880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).