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

• ChemBase编号: 661129
• 分子式: C17H22N4O5
• 平均质量: 362.38038
• 单一同位素质量: 362.15901982
• SMILES: N1(C(=O)c2occc2)C(CC(=O)N(Cc2nc(no2)C)CC)COCC1
• Canonical SMILES: CCN(C(=O)CC1COCCN1C(=O)c1ccco1)Cc1onc(n1)C
• InChI: InChI=1S/C17H22N4O5/c1-3-20(10-15-18-12(2)19-26-15)16(22)9-13-11-24-8-6-21(13)17(23)14-5-4-7-25-14/h4-5,7,13H,3,6,8-11H2,1-2H3
• InChIKey: ZEEIJKOLVYWPAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-[4-(furan-2-carbonyl)morpholin-3-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• IUPAC传统名: N-ethyl-2-[4-(furan-2-carbonyl)morpholin-3-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• 别名: N-ethyl-2-[4-(2-furoyl)-3-morpholinyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.014429362
• LogD (pH = 7.4): 0.01442944
• Log P: 0.014429441
• 摩尔折射率: 92.3937 cm^3
• 极化性: 34.42589 Å^3
• 极化表面积: 101.91 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: 7
• 质子供体: 0
• Log P: -0.68
• LOG S: -2.57
• 极化表面积: 101.91 Å^2
• 可自由旋转的化学键: 6