2-butyl-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2,5-dihydro-1H-pyrrole-1-carboxamide

• ChemBase ID: 352323
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c(onc1CC)c1ccc(NC(=O)N2C(C=CC2)CCCC)cc1
• Canonical SMILES: CCCCC1C=CCN1C(=O)Nc1ccc(cc1)c1onc(n1)CC
• InChI: InChI=1S/C19H24N4O2/c1-3-5-7-16-8-6-13-23(16)19(24)20-15-11-9-14(10-12-15)18-21-17(4-2)22-25-18/h6,8-12,16H,3-5,7,13H2,1-2H3,(H,20,24)
• InChIKey: UTAXNQVDNVEMHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2,5-dihydro-1H-pyrrole-1-carboxamide
• IUPAC Traditional name: 2-butyl-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2,5-dihydropyrrole-1-carboxamide
• Synonyms: 2-butyl-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2,5-dihydro-1H-pyrrole-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.649824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.6494393
• LogD (pH = 7.4): 4.6494374
• Log P: 4.64944
• Molar Refractivity: 110.8545 cm^3
• Polarizability: 37.252724 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.95
• LOG S: -5.06
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6