N-(3-ethylphenyl)-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-4-oxobutanamide

• ChemBase ID: 783832
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(C2N(C(=O)CCC(=O)Nc3cc(ccc3)CC)CCC2)nonc1C
• Canonical SMILES: CCc1cccc(c1)NC(=O)CCC(=O)N1CCCC1c1nonc1C
• InChI: InChI=1S/C19H24N4O3/c1-3-14-6-4-7-15(12-14)20-17(24)9-10-18(25)23-11-5-8-16(23)19-13(2)21-26-22-19/h4,6-7,12,16H,3,5,8-11H2,1-2H3,(H,20,24)
• InChIKey: SPBOXOOZJUTACV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethylphenyl)-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-4-oxobutanamide
• IUPAC Traditional name: N-(3-ethylphenyl)-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-4-oxobutanamide
• Synonyms: N-(3-ethylphenyl)-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.184561
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7781327
• LogD (pH = 7.4): 1.7781327
• Log P: 1.7781327
• Molar Refractivity: 99.4109 cm^3
• Polarizability: 36.846714 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.04
• LOG S: -3.54
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6