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

• ChemBase编号: 472793
• 分子式: C17H21N5O2
• 平均质量: 327.38094
• 单一同位素质量: 327.16952494
• SMILES: c12n(c(CC(=O)N(Cc3nc(no3)CC)CC)cn1)cccc2C
• Canonical SMILES: CCN(C(=O)Cc1cnc2n1cccc2C)Cc1onc(n1)CC
• InChI: InChI=1S/C17H21N5O2/c1-4-14-19-15(24-20-14)11-21(5-2)16(23)9-13-10-18-17-12(3)7-6-8-22(13)17/h6-8,10H,4-5,9,11H2,1-3H3
• InChIKey: GZVVFFXQGRKNDI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-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): 1.0236061
• LogD (pH = 7.4): 1.8132917
• Log P: 1.8656749
• 摩尔折射率: 92.3339 cm^3
• 极化性: 33.799442 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: 0.9
• LOG S: -2.35
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6