N-{2-methyl-5-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]phenyl}cyclopropanecarboxamide

• ChemBase ID: 568312
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: N1(C(=O)c2cc(NC(=O)C3CC3)c(cc2)C)C(c2nonc2C)CCC1
• Canonical SMILES: O=C(C1CC1)Nc1cc(ccc1C)C(=O)N1CCCC1c1nonc1C
• InChI: InChI=1S/C19H22N4O3/c1-11-5-6-14(10-15(11)20-18(24)13-7-8-13)19(25)23-9-3-4-16(23)17-12(2)21-26-22-17/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,20,24)
• InChIKey: KMIFOQRSDTYCIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methyl-5-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]phenyl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{2-methyl-5-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]phenyl}cyclopropanecarboxamide
• Synonyms: N-(2-methyl-5-{[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]carbonyl}phenyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.790705
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9460803
• LogD (pH = 7.4): 1.9460802
• Log P: 1.9460804
• Molar Refractivity: 98.572 cm^3
• Polarizability: 35.918243 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.35
• LOG S: -2.94
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4