(1-methyl-1H-imidazol-2-yl)[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-4-yl]methanol

• ChemBase ID: 495420
• Molecular Formular: C25H33N5O2
• Molecular Mass: 435.56182
• Monoisotopic Mass: 435.26342532
• SMILES: c1(nc(on1)CN1CCC(C(c2n(ccn2)C)O)CC1)C1(c2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)C1(CCCC1)c1noc(n1)CN1CCC(CC1)C(c1nccn1C)O
• InChI: InChI=1S/C25H33N5O2/c1-18-5-7-20(8-6-18)25(11-3-4-12-25)24-27-21(32-28-24)17-30-14-9-19(10-15-30)22(31)23-26-13-16-29(23)2/h5-8,13,16,19,22,31H,3-4,9-12,14-15,17H2,1-2H3
• InChIKey: WATVEQPIMHKZFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-imidazol-2-yl)[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-4-yl]methanol
• IUPAC Traditional name: (1-methylimidazol-2-yl)[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)piperidin-4-yl]methanol
• Synonyms: (1-methyl-1H-imidazol-2-yl)[1-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-4-piperidinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328707
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6350667
• LogD (pH = 7.4): 4.053403
• Log P: 4.1227813
• Molar Refractivity: 135.9797 cm^3
• Polarizability: 47.663372 Å^3
• Polar Surface Area: 80.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.66
• LOG S: -5.16
• Polar Surface Area: 80.21 Å^2
• Rotatable Bonds: 6