N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 581824
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C1(=O)N(CC(=O)NCC2CN(Cc3ccccc3)CC2)CCO1
• Canonical SMILES: O=C(CN1CCOC1=O)NCC1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C17H23N3O3/c21-16(13-20-8-9-23-17(20)22)18-10-15-6-7-19(12-15)11-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)
• InChIKey: MAUFTUGIBZKVAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.497464
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6841826
• LogD (pH = 7.4): -1.1456809
• Log P: 0.5684148
• Molar Refractivity: 86.8993 cm^3
• Polarizability: 33.773434 Å^3
• Polar Surface Area: 61.88 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: 0.52
• LOG S: -1.96
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6