N-cyclohexyl-2-(2-methoxy-4-methylphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide

• ChemBase编号: 765656
• 分子式: C20H26N2O4
• 平均质量: 358.43144
• 单一同位素质量: 358.18925732
• SMILES: c1(C(=O)N(C2CCCCC2)C)nc(oc1)COc1c(cc(cc1)C)OC
• Canonical SMILES: COc1cc(C)ccc1OCc1occ(n1)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C20H26N2O4/c1-14-9-10-17(18(11-14)24-3)25-13-19-21-16(12-26-19)20(23)22(2)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3
• InChIKey: BPLURDYZXJLMQS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-(2-methoxy-4-methylphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• IUPAC传统名: N-cyclohexyl-2-(2-methoxy-4-methylphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• 别名: N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-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): 3.3939688
• LogD (pH = 7.4): 3.3939688
• Log P: 3.3939688
• 摩尔折射率: 98.1886 cm^3
• 极化性: 37.725075 Å^3
• 极化表面积: 64.8 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: 5
• 质子供体: 0
• Log P: 2.64
• LOG S: -4.05
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 5