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

• ChemBase ID: 657676
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: C1(C(=O)N(Cc2nc(no2)CC)CC)CN(C(=O)C1)Cc1ccncc1
• Canonical SMILES: CCN(C(=O)C1CC(=O)N(C1)Cc1ccncc1)Cc1onc(n1)CC
• InChI: InChI=1S/C18H23N5O3/c1-3-15-20-16(26-21-15)12-22(4-2)18(25)14-9-17(24)23(11-14)10-13-5-7-19-8-6-13/h5-8,14H,3-4,9-12H2,1-2H3
• InChIKey: MNVOOUJLFOCHNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.36634898
• LogD (pH = 7.4): 0.4752162
• Log P: 0.47684744
• Molar Refractivity: 95.8674 cm^3
• Polarizability: 36.059414 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.56
• LOG S: -1.34
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 7