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

• ChemBase编号: 689149
• 分子式: C18H19N5O2
• 平均质量: 337.37576
• 单一同位素质量: 337.15387487
• SMILES: c1(c2nc(on2)C2CCN(C(=O)C3CC3)CC2)nc2n(c1)cccc2
• Canonical SMILES: O=C(C1CC1)N1CCC(CC1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C18H19N5O2/c24-18(13-4-5-13)22-9-6-12(7-10-22)17-20-16(21-25-17)14-11-23-8-2-1-3-15(23)19-14/h1-3,8,11-13H,4-7,9-10H2
• InChIKey: ZVIRHYSKLWVTEA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopropanecarbonyl-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC传统名: 1-cyclopropanecarbonyl-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• 别名: 2-{5-[1-(cyclopropylcarbonyl)-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): 2.1156166
• LogD (pH = 7.4): 2.1641834
• Log P: 2.1648407
• 摩尔折射率: 103.429 cm^3
• 极化性: 35.03479 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.19
• LOG S: -3.53
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3