2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}acetamide

• ChemBase编号: 379213
• 分子式: C15H22N4O4
• 平均质量: 322.35958
• 单一同位素质量: 322.1641052
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1cc(no1)C(C)C)C)C)C
• Canonical SMILES: O=C(N(Cc1onc(c1)C(C)C)C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C15H22N4O4/c1-9(2)11-6-10(23-16-11)8-17(3)13(20)7-12-14(21)19(5)15(22)18(12)4/h6,9,12H,7-8H2,1-5H3
• InChIKey: GLWMHOCULJTLPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(3-isopropyl-5-isoxazolyl)methyl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 14.179457
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.051597003
• LogD (pH = 7.4): -0.051594656
• Log P: -0.05159455
• 摩尔折射率: 82.7094 cm^3
• 极化性: 31.352442 Å^3
• 极化表面积: 86.96 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: -1.31
• LOG S: -1.74
• 极化表面积: 86.96 Å^2
• 可自由旋转的化学键: 5