5-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 519040
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(C(=O)NC2CC(=O)N(C2)CCCc2ccccc2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)NC1CC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H23N3O3/c1-2-16-18(20-13-25-16)19(24)21-15-11-17(23)22(12-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,21,24)
• InChIKey: GNFYWEJNWFMXJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-ethyl-N-[5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.308981
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7987382
• LogD (pH = 7.4): 1.7987382
• Log P: 1.7987382
• Molar Refractivity: 94.1136 cm^3
• Polarizability: 35.74219 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.82
• LOG S: -3.5
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 6