2-(dimethyl-1,2-oxazol-4-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

• ChemBase ID: 830726
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c(onc1C)C)CC(=O)NC1CC(=O)N(C1)CCc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)noc1C)NC1CN(C(=O)C1)CCc1ccccc1
• InChI: InChI=1S/C19H23N3O3/c1-13-17(14(2)25-21-13)11-18(23)20-16-10-19(24)22(12-16)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,23)
• InChIKey: GIDXPFURRAUHIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,2-oxazol-4-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
• Synonyms: 2-(3,5-dimethyl-4-isoxazolyl)-N-[5-oxo-1-(2-phenylethyl)-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.050726
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.979939
• LogD (pH = 7.4): 0.97998583
• Log P: 0.9799865
• Molar Refractivity: 94.7361 cm^3
• Polarizability: 35.867043 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.78
• LOG S: -3.42
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6