N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide

• ChemBase编号: 414841
• 分子式: C19H24N2O4
• 平均质量: 344.40486
• 单一同位素质量: 344.17360726
• SMILES: c1(c(c(on1)C)COC)C(=O)N(Cc1c(OCC)cccc1)C1CC1
• Canonical SMILES: COCc1c(C)onc1C(=O)N(C1CC1)Cc1ccccc1OCC
• InChI: InChI=1S/C19H24N2O4/c1-4-24-17-8-6-5-7-14(17)11-21(15-9-10-15)19(22)18-16(12-23-3)13(2)25-20-18/h5-8,15H,4,9-12H2,1-3H3
• InChIKey: NLLXDENEHJIZFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
• IUPAC传统名: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
• 别名: N-cyclopropyl-N-(2-ethoxybenzyl)-4-(methoxymethyl)-5-methylisoxazole-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.4861465
• LogD (pH = 7.4): 2.4861465
• Log P: 2.4861465
• 摩尔折射率: 95.7522 cm^3
• 极化性: 35.90366 Å^3
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.09
• LOG S: -3.5
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 8