[3-(4-aminophenyl)-1,2-oxazol-5-yl]methanol

• ChemBase ID: 799298
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: C(O)c1onc(c1)c1ccc(cc1)N
• Canonical SMILES: OCc1onc(c1)c1ccc(cc1)N
• InChI: InChI=1S/C10H10N2O2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6,11H2
• InChIKey: VNXXPOJYMSSBIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-aminophenyl)-1,2-oxazol-5-yl]methanol
• IUPAC Traditional name: [3-(4-aminophenyl)-1,2-oxazol-5-yl]methanol
• Synonyms: [3-(4-Amino-phenyl)-isoxazol-5-yl]-methanol

Database IDs

• CAS Number: 885273-66-5

CALCULATED PROPERTIES

• Acid pKa: 13.312903
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.69309086
• LogD (pH = 7.4): 0.69457287
• Log P: 0.6945923
• Molar Refractivity: 53.658 cm^3
• Polarizability: 20.850868 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%; 98%