(5-{1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 626145
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: c1(n(cnc1c1ccccc1)Cc1nc(on1)C1CCC1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1n(cnc1c1ccccc1)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C21H20N4O3/c26-12-16-9-10-17(27-16)20-19(14-5-2-1-3-6-14)22-13-25(20)11-18-23-21(28-24-18)15-7-4-8-15/h1-3,5-6,9-10,13,15,26H,4,7-8,11-12H2
• InChIKey: KCRMNDWALSWCEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-phenylimidazol-4-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Log P: 3.1301382
• Molar Refractivity: 103.952 cm^3
• Polarizability: 41.384857 Å^3
• Polar Surface Area: 90.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.743155
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.085853
• LogD (pH = 7.4): 3.1295478

供应商提供(Chembridge)

• Log P: 2.32
• LOG S: -3.93
• Polar Surface Area: 90.11 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 1