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

• ChemBase ID: 115246
• Molecular Formular: C10H8FNO2
• Molecular Mass: 193.1744232
• Monoisotopic Mass: 193.05390672
• SMILES: c1(cc(no1)CO)c1c(F)cccc1
• Canonical SMILES: OCc1noc(c1)c1ccccc1F
• InChI: InChI=1S/C10H8FNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)12-14-10/h1-5,13H,6H2
• InChIKey: UDUUQCWLDVLJSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09752375
• PubChem SID: 162099962
• PubChem CID: 33676697

CALCULATED PROPERTIES

• Acid pKa: 13.700305
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3618417
• LogD (pH = 7.4): 1.3618416
• Log P: 1.3618418
• Molar Refractivity: 49.0238 cm^3
• Polarizability: 19.395191 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.964

Product Information

• Purity: 95+%