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

• ChemBase编号: 627903
• 分子式: C19H24N2O4
• 平均质量: 344.40486
• 单一同位素质量: 344.17360726
• SMILES: c1(C(=O)N(C2CCCCC2)C)nc(oc1)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C19H24N2O4/c1-21(14-7-4-3-5-8-14)19(22)17-12-25-18(20-17)13-24-16-10-6-9-15(11-16)23-2/h6,9-12,14H,3-5,7-8,13H2,1-2H3
• InChIKey: ARYDXJSINWUFHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-(3-methoxyphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• IUPAC传统名: N-cyclohexyl-2-(3-methoxyphenoxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
• 别名: N-cyclohexyl-2-[(3-methoxyphenoxy)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): 2.8805475
• LogD (pH = 7.4): 2.8805475
• Log P: 2.8805475
• 摩尔折射率: 93.1474 cm^3
• 极化性: 35.96357 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: 2.49
• LOG S: -3.34
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 5