2-chloro-5-(4-fluorophenyl)-1,3-oxazole

• ChemBase ID: 813740
• Molecular Formular: C9H5ClFNO
• Molecular Mass: 197.5935032
• Monoisotopic Mass: 197.00436969
• SMILES: o1c(ncc1c1ccc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(cc1)c1cnc(o1)Cl
• InChI: InChI=1S/C9H5ClFNO/c10-9-12-5-8(13-9)6-1-3-7(11)4-2-6/h1-5H
• InChIKey: HUGQDUJZWJSWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(4-fluorophenyl)-1,3-oxazole
• IUPAC Traditional name: 2-chloro-5-(4-fluorophenyl)-1,3-oxazole
• Synonyms: 2-chloro-5-(4-fluorophenyl)oxazole

Database IDs

• CAS Number: 1060816-27-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.53908
• LogD (pH = 7.4): 2.53908
• Log P: 2.53908
• Molar Refractivity: 47.0234 cm^3
• Polarizability: 18.958576 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%