N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

• ChemBase ID: 396040
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N1(C(=O)CC(C1)c1ccccc1)CC(=O)N(Cc1noc(c1)C1CC1)C
• Canonical SMILES: CN(C(=O)CN1CC(CC1=O)c1ccccc1)Cc1noc(c1)C1CC1
• InChI: InChI=1S/C20H23N3O3/c1-22(12-17-10-18(26-21-17)15-7-8-15)20(25)13-23-11-16(9-19(23)24)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-13H2,1H3
• InChIKey: WSXMUXWILLNREH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
• Synonyms: N-[(5-cyclopropylisoxazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Log P: 1.0550574
• Molar Refractivity: 97.2969 cm^3
• Polarizability: 37.058735 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 19.448357
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0550566
• LogD (pH = 7.4): 1.0550574

供应商提供(Chembridge)

• Log P: 1.27
• LOG S: -2.86
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0