N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide

• ChemBase编号: 552470
• 分子式: C15H24N4O2
• 平均质量: 292.37666
• 单一同位素质量: 292.18992603
• SMILES: C1(=CCCN(C1)Cc1nnc(o1)CC)C(N(C(=O)C)C)C
• Canonical SMILES: CCc1nnc(o1)CN1CCC=C(C1)C(N(C(=O)C)C)C
• InChI: InChI=1S/C15H24N4O2/c1-5-14-16-17-15(21-14)10-19-8-6-7-13(9-19)11(2)18(4)12(3)20/h7,11H,5-6,8-10H2,1-4H3
• InChIKey: GJTOZBJWRKVLKU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide
• IUPAC传统名: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6-dihydro-2H-pyridin-3-yl}ethyl)-N-methylacetamide
• 别名: N-(1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}ethyl)-N-methylacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.3955089
• LogD (pH = 7.4): -0.3142792
• Log P: -0.24799271
• 摩尔折射率: 83.499 cm^3
• 极化性: 31.078207 Å^3
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.44
• LOG S: -2.27
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 5