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

• ChemBase ID: 565034
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: n1c(noc1C1CCC1)CN(C(=O)C1CN(C(=O)C1)Cc1cnccc1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C1CCC1)C)C1CC(=O)N(C1)Cc1cccnc1
• InChI: InChI=1S/C19H23N5O3/c1-23(12-16-21-18(27-22-16)14-5-2-6-14)19(26)15-8-17(25)24(11-15)10-13-4-3-7-20-9-13/h3-4,7,9,14-15H,2,5-6,8,10-12H2,1H3
• InChIKey: KACQKHSGKABOKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5406914
• LogD (pH = 7.4): 0.6125129
• Log P: 0.6135298
• Molar Refractivity: 98.4921 cm^3
• Polarizability: 37.175884 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.69
• LOG S: -1.31
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 6