N-(2-methoxyethyl)-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase编号: 401479
• 分子式: C15H18N2O4
• 平均质量: 290.31442
• 单一同位素质量: 290.12665707
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1coc(n1)COc1ccccc1)C
• InChI: InChI=1S/C15H18N2O4/c1-17(8-9-19-2)15(18)13-10-21-14(16-13)11-20-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
• InChIKey: CRIDYPTZLONWSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• 别名: N-(2-methoxyethyl)-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1919727
• LogD (pH = 7.4): 1.1919727
• Log P: 1.1919727
• 摩尔折射率: 76.7135 cm^3
• 极化性: 29.362974 Å^3
• 极化表面积: 64.8 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: 5
• 质子供体: 0
• Log P: 0.69
• LOG S: -1.29
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 6