(5-phenyl-1,3-oxazol-4-yl)methanol

• ChemBase ID: 80567
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: n1coc(c1CO)c1ccccc1
• Canonical SMILES: OCc1ncoc1c1ccccc1
• InChI: InChI=1S/C10H9NO2/c12-6-9-10(13-7-11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
• InChIKey: LVHWTAMRDRDXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenyl-1,3-oxazol-4-yl)methanol
• IUPAC Traditional name: (5-phenyl-1,3-oxazol-4-yl)methanol
• Synonyms: (5-phenyl-1,3-oxazol-4-yl)methanol; (5-Phenyloxazol-4-yl)methanol; 5-phenyl-1,3-oxazole-4-methanol

Database IDs

• CAS Number: 352018-88-3
• MDL Number: MFCD03086105
• PubChem SID: 162067687
• PubChem CID: 2776302

CALCULATED PROPERTIES

• Acid pKa: 14.213093
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7964849
• LogD (pH = 7.4): 0.7964857
• Log P: 0.7964858
• Molar Refractivity: 48.0748 cm^3
• Polarizability: 19.72224 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-95°C

Product Information

• Purity: 95%; 95+%; 97%; 98%