5-(2-fluorophenyl)-1,2-oxazole

• ChemBase ID: 10275
• Molecular Formular: C9H6FNO
• Molecular Mass: 163.1484432
• Monoisotopic Mass: 163.04334204
• SMILES: c1cnoc1c1ccccc1F
• Canonical SMILES: Fc1ccccc1c1ccno1
• InChI: InChI=1S/C9H6FNO/c10-8-4-2-1-3-7(8)9-5-6-11-12-9/h1-6H
• InChIKey: MPGCKXHQIAUHAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-1,2-oxazole
• IUPAC Traditional name: 5-(2-fluorophenyl)-1,2-oxazole
• Synonyms: 5-(2-Fluorophenyl)isoxazole

Database IDs

• CAS Number: 387358-55-6
• MDL Number: MFCD02183542
• PubChem SID: 160973582
• PubChem CID: 2774708

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0477185
• LogD (pH = 7.4): 2.0477197
• Log P: 2.0477197
• Molar Refractivity: 42.7301 cm^3
• Polarizability: 16.920387 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false