N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(morpholin-4-yl)-N-(propan-2-yl)-2-(pyridin-3-yl)acetamide

• ChemBase编号: 432402
• 分子式: C19H27N5O3
• 平均质量: 373.44938
• 单一同位素质量: 373.21138975
• SMILES: C(=O)(N(Cc1nc(no1)CC)C(C)C)C(N1CCOCC1)c1cnccc1
• Canonical SMILES: CCc1noc(n1)CN(C(=O)C(c1cccnc1)N1CCOCC1)C(C)C
• InChI: InChI=1S/C19H27N5O3/c1-4-16-21-17(27-22-16)13-24(14(2)3)19(25)18(15-6-5-7-20-12-15)23-8-10-26-11-9-23/h5-7,12,14,18H,4,8-11,13H2,1-3H3
• InChIKey: DAQXGKGDCLUHMC-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.3114017
• LogD (pH = 7.4): 1.3897951
• Log P: 1.3908862
• 摩尔折射率: 101.9382 cm^3
• 极化性: 38.879467 Å^3
• 极化表面积: 84.59 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 0.84
• LOG S: -1.34
• 极化表面积: 84.59 Å^2
• 可自由旋转的化学键: 7