[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methanamine hydrochloride

• ChemBase ID: 799001
• Molecular Formular: C10H10ClFN2O
• Molecular Mass: 228.6506032
• Monoisotopic Mass: 228.04656885
• SMILES: Cl.C(N)c1nc(oc1)c1ccc(cc1)F
• Canonical SMILES: NCc1coc(n1)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C10H9FN2O.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H
• InChIKey: SPSCBBJUGQDXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1775628
• LogD (pH = 7.4): 0.50978583
• Log P: 1.2898498
• Molar Refractivity: 60.0366 cm^3
• Polarizability: 19.608433 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%