N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(propan-2-yl)acetamide

• ChemBase编号: 590318
• 分子式: C18H23N5O2
• 平均质量: 341.40752
• 单一同位素质量: 341.185175
• SMILES: c12n(c(CC(=O)N(Cc3nnc(o3)CC)C(C)C)cn1)cccc2C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)Cc1cnc2n1cccc2C)C(C)C
• InChI: InChI=1S/C18H23N5O2/c1-5-15-20-21-16(25-15)11-23(12(2)3)17(24)9-14-10-19-18-13(4)7-6-8-22(14)18/h6-8,10,12H,5,9,11H2,1-4H3
• InChIKey: AOBOKFWBYKFPBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N-(propan-2-yl)acetamide
• IUPAC传统名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.052920945
• LogD (pH = 7.4): 0.7958966
• Log P: 0.8471926
• 摩尔折射率: 96.8785 cm^3
• 极化性: 35.634678 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 1.76
• LOG S: -3.19
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6