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

• ChemBase ID: 267686
• Molecular Formular: C10H8FNO2
• Molecular Mass: 193.1744232
• Monoisotopic Mass: 193.05390672
• SMILES: c1(oc(nc1)CO)c1ccc(cc1)F
• Canonical SMILES: OCc1ncc(o1)c1ccc(cc1)F
• InChI: InChI=1S/C10H8FNO2/c11-8-3-1-7(2-4-8)9-5-12-10(6-13)14-9/h1-5,13H,6H2
• InChIKey: YAWZQZYIGAJDAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12137937
• PubChem SID: 164323596
• PubChem CID: 43558727

CALCULATED PROPERTIES

• Acid pKa: 13.153314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.93088144
• LogD (pH = 7.4): 0.93088156
• Log P: 0.93088233
• Molar Refractivity: 48.1404 cm^3
• Polarizability: 19.38485 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%