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

• ChemBase编号: 459358
• 分子式: C19H21N5O2
• 平均质量: 351.40234
• 单一同位素质量: 351.16952494
• SMILES: c1(c2nc(on2)C2CCN(C(=O)C3CCC3)CC2)nc2n(c1)cccc2
• Canonical SMILES: O=C(C1CCC1)N1CCC(CC1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C19H21N5O2/c25-19(14-4-3-5-14)23-10-7-13(8-11-23)18-21-17(22-26-18)15-12-24-9-2-1-6-16(24)20-15/h1-2,6,9,12-14H,3-5,7-8,10-11H2
• InChIKey: CRHZJZMGUFTHOS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclobutanecarbonyl-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC传统名: 1-cyclobutanecarbonyl-4-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidine
• 别名: 2-{5-[1-(cyclobutylcarbonyl)-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): 2.5358555
• LogD (pH = 7.4): 2.5844226
• Log P: 2.58508
• 摩尔折射率: 108.03 cm^3
• 极化性: 36.871437 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: 2.76
• LOG S: -4.12
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3