N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

• ChemBase编号: 227341
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: n1cc(oc1CCC(=O)NC1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: O=C(NC1CCOC(C1)(C)C)CCc1ncc(o1)c1ccccc1
• InChI: InChI=1S/C19H24N2O3/c1-19(2)12-15(10-11-23-19)21-17(22)8-9-18-20-13-16(24-18)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)
• InChIKey: FNKJNIKJLDXGDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• IUPAC传统名: N-(2,2-dimethyloxan-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

登记号

• PubChem SID: 164283251
• PubChem CID: 71754469

理论计算性质

• Acid pKa: 15.3918705
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5053585
• LogD (pH = 7.4): 1.5053624
• Log P: 1.5053624
• 摩尔折射率: 91.3665 cm^3
• 极化性: 36.847416 Å^3
• 极化表面积: 64.36 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds