5-cyclopentyl-3-{[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,2,4-oxadiazole

• ChemBase ID: 782183
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1(c(c(nc1)c1ccccc1)C1COCC1)Cc1nc(on1)C1CCCC1
• Canonical SMILES: C1OCC(C1)c1n(cnc1c1ccccc1)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C21H24N4O2/c1-2-6-15(7-3-1)19-20(17-10-11-26-13-17)25(14-22-19)12-18-23-21(27-24-18)16-8-4-5-9-16/h1-3,6-7,14,16-17H,4-5,8-13H2
• InChIKey: URJOGMWBOFPBKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.163674
• LogD (pH = 7.4): 3.6103816
• Log P: 3.6217372
• Molar Refractivity: 103.4498 cm^3
• Polarizability: 40.19985 Å^3
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.45
• LOG S: -3.95
• Polar Surface Area: 65.97 Å^2
• Rotatable Bonds: 5