1-cyclopropyl-5-{[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole

• ChemBase ID: 417413
• Molecular Formular: C19H19FN4O
• Molecular Mass: 338.3787632
• Monoisotopic Mass: 338.15428947
• SMILES: c12c(noc1CCN(C2)Cc1n(C2CC2)cnc1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1noc2c1CN(CC2)Cc1cncn1C1CC1
• InChI: InChI=1S/C19H19FN4O/c20-14-3-1-2-13(8-14)19-17-11-23(7-6-18(17)25-22-19)10-16-9-21-12-24(16)15-4-5-15/h1-3,8-9,12,15H,4-7,10-11H2
• InChIKey: OKWJRLUJTAHULU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-5-{[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-cyclopropyl-5-{[3-(3-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}imidazole
• Synonyms: 5-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-3-(3-fluorophenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.96983784
• LogD (pH = 7.4): 2.224916
• Log P: 2.4013987
• Molar Refractivity: 93.8736 cm^3
• Polarizability: 36.117043 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.92
• LOG S: -1.45
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4