1-ethyl-N-methyl-5-oxo-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrrolidine-3-carboxamide

• ChemBase ID: 607891
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: n1c(noc1CN(C(=O)C1CN(C(=O)C1)CC)C)c1ccncc1
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N(Cc1onc(n1)c1ccncc1)C
• InChI: InChI=1S/C16H19N5O3/c1-3-21-9-12(8-14(21)22)16(23)20(2)10-13-18-15(19-24-13)11-4-6-17-7-5-11/h4-7,12H,3,8-10H2,1-2H3
• InChIKey: ATZWBFAPLAWHKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-methyl-5-oxo-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-methyl-5-oxo-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrrolidine-3-carboxamide
• Synonyms: 1-ethyl-N-methyl-5-oxo-N-{[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.055172924
• LogD (pH = 7.4): -0.054630753
• Log P: -0.054623835
• Molar Refractivity: 97.4146 cm^3
• Polarizability: 33.13761 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.05
• LOG S: -2.87
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 5