4-(4-fluorophenyl)-1,3-oxazol-2-amine

• ChemBase ID: 813731
• Molecular Formular: C9H7FN2O
• Molecular Mass: 178.1630832
• Monoisotopic Mass: 178.05424107
• SMILES: o1c(nc(c1)c1ccc(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1)c1coc(n1)N
• InChI: InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
• InChIKey: ANTIKVAJAUKENU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-1,3-oxazol-2-amine
• IUPAC Traditional name: 4-(4-fluorophenyl)-1,3-oxazol-2-amine
• Synonyms: 4-(4-fluorophenyl)oxazol-2-amine

Database IDs

• CAS Number: 157429-08-8

CALCULATED PROPERTIES

• Acid pKa: 14.076186
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9461553
• LogD (pH = 7.4): 1.9462377
• Log P: 1.9462389
• Molar Refractivity: 45.9217 cm^3
• Polarizability: 18.054564 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%