1-(2-methoxyphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one

• ChemBase ID: 377493
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: N1(C(=O)CC(Nc2oc(nn2)CCC)C1)c1c(OC)cccc1
• Canonical SMILES: CCCc1nnc(o1)NC1CC(=O)N(C1)c1ccccc1OC
• InChI: InChI=1S/C16H20N4O3/c1-3-6-14-18-19-16(23-14)17-11-9-15(21)20(10-11)12-7-4-5-8-13(12)22-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,19)
• InChIKey: HGGHXOBCAJRYKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one
• IUPAC Traditional name: 1-(2-methoxyphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one
• Synonyms: 1-(2-methoxyphenyl)-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.366161
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1238117
• LogD (pH = 7.4): 1.123372
• Log P: 1.1238178
• Molar Refractivity: 86.6609 cm^3
• Polarizability: 32.019688 Å^3
• Polar Surface Area: 80.49 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: 1.91
• LOG S: -3.14
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6