1-(furan-2-ylmethyl)-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine

• ChemBase编号: 408136
• 分子式: C19H19N5O2
• 平均质量: 349.38646
• 单一同位素质量: 349.15387487
• SMILES: c1(c2nc(on2)C2CCN(Cc3occc3)CC2)nc2n(c1)cccc2
• Canonical SMILES: c1coc(c1)CN1CCC(CC1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C19H19N5O2/c1-2-8-24-13-16(20-17(24)5-1)18-21-19(26-22-18)14-6-9-23(10-7-14)12-15-4-3-11-25-15/h1-5,8,11,13-14H,6-7,9-10,12H2
• InChIKey: QVZQYNUGQRLVLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(furan-2-ylmethyl)-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC传统名: 1-(furan-2-ylmethyl)-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• 别名: 2-{5-[1-(2-furylmethyl)-4-piperidinyl]-1,2,4-oxadiazol-3-yl}imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3576995
• LogD (pH = 7.4): 2.1851091
• Log P: 2.9180038
• 摩尔折射率: 108.7621 cm^3
• 极化性: 36.920513 Å^3
• 极化表面积: 72.6 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 3.01
• LOG S: -3.31
• 极化表面积: 72.6 Å^2
• 可自由旋转的化学键: 4