(5-phenyl-1,3-oxazol-2-yl)methanol

• ChemBase ID: 268107
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1(oc(nc1)CO)c1ccccc1
• Canonical SMILES: OCc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C10H9NO2/c12-7-10-11-6-9(13-10)8-4-2-1-3-5-8/h1-6,12H,7H2
• InChIKey: QWDFLHOXYNQZTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenyl-1,3-oxazol-2-yl)methanol
• IUPAC Traditional name: (5-phenyl-1,3-oxazol-2-yl)methanol
• Synonyms: (5-phenyl-1,3-oxazol-2-yl)methanol

Database IDs

• MDL Number: MFCD12138156
• PubChem SID: 164324017
• PubChem CID: 43558917

CALCULATED PROPERTIES

• Acid pKa: 13.151101
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7881796
• LogD (pH = 7.4): 0.7881796
• Log P: 0.78818035
• Molar Refractivity: 47.924 cm^3
• Polarizability: 19.722357 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 0.881

Product Information

• Purity: 95%