1-cyclopentyl-5-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-2-one

• ChemBase编号: 463986
• 分子式: C19H21N5O2
• 平均质量: 351.40234
• 单一同位素质量: 351.16952494
• SMILES: c1(c2nc(C3CN(C(=O)CC3)C3CCCC3)on2)nc2n(c1)cccc2
• Canonical SMILES: O=C1CCC(CN1C1CCCC1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C19H21N5O2/c25-17-9-8-13(11-24(17)14-5-1-2-6-14)19-21-18(22-26-19)15-12-23-10-4-3-7-16(23)20-15/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
• InChIKey: WTSVPKJDLYKZMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-5-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-2-one
• IUPAC传统名: 1-cyclopentyl-5-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-2-one
• 别名: 1-cyclopentyl-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-piperidinone

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6285992
• LogD (pH = 7.4): 2.677165
• Log P: 2.6778224
• 摩尔折射率: 107.6433 cm^3
• 极化性: 36.871376 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: 2.93
• LOG S: -4.26
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3