2-(3-methoxyphenoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-oxazole-4-carboxamide

• ChemBase编号: 822843
• 分子式: C19H20N2O5
• 平均质量: 356.3725
• 单一同位素质量: 356.13722175
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N(Cc1ccc(o1)C)C
• InChI: InChI=1S/C19H20N2O5/c1-13-7-8-16(26-13)10-21(2)19(22)17-11-25-18(20-17)12-24-15-6-4-5-14(9-15)23-3/h4-9,11H,10,12H2,1-3H3
• InChIKey: AZJZSMIEYZWJEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-methoxyphenoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-oxazole-4-carboxamide
• IUPAC传统名: 2-(3-methoxyphenoxymethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-oxazole-4-carboxamide
• 别名: 2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-2-furyl)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): 2.065558
• LogD (pH = 7.4): 2.065558
• Log P: 2.065558
• 摩尔折射率: 94.2864 cm^3
• 极化性: 35.741695 Å^3
• 极化表面积: 77.94 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: 6
• 质子供体: 0
• Log P: 2.32
• LOG S: -2.54
• 极化表面积: 77.94 Å^2
• 可自由旋转的化学键: 6