3-{[5-(4-fluoro-2-methylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-(2-methoxyethyl)-1,2,4-oxadiazole

• ChemBase ID: 507938
• Molecular Formular: C22H21FN4O2
• Molecular Mass: 392.4261432
• Monoisotopic Mass: 392.16485415
• SMILES: n1(c(c(nc1)c1ccccc1)c1c(cc(cc1)F)C)Cc1nc(on1)CCOC
• Canonical SMILES: COCCc1onc(n1)Cn1cnc(c1c1ccc(cc1C)F)c1ccccc1
• InChI: InChI=1S/C22H21FN4O2/c1-15-12-17(23)8-9-18(15)22-21(16-6-4-3-5-7-16)24-14-27(22)13-19-25-20(29-26-19)10-11-28-2/h3-9,12,14H,10-11,13H2,1-2H3
• InChIKey: QPSCKBZSJJQERY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[5-(4-fluoro-2-methylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-(2-methoxyethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 3-{[5-(4-fluoro-2-methylphenyl)-4-phenylimidazol-1-yl]methyl}-5-(2-methoxyethyl)-1,2,4-oxadiazole
• Synonyms: 3-{[5-(4-fluoro-2-methylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-(2-methoxyethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.188541
• LogD (pH = 7.4): 4.428011
• Log P: 4.432298
• Molar Refractivity: 109.2779 cm^3
• Polarizability: 43.041183 Å^3
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.59
• LOG S: -4.27
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 7