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

• ChemBase ID: 627734
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: N1(C(=O)CC(Nc2oc(nn2)CCC)C1)c1cc(ccc1)C
• Canonical SMILES: CCCc1nnc(o1)NC1CC(=O)N(C1)c1cccc(c1)C
• InChI: InChI=1S/C16H20N4O2/c1-3-5-14-18-19-16(22-14)17-12-9-15(21)20(10-12)13-7-4-6-11(2)8-13/h4,6-8,12H,3,5,9-10H2,1-2H3,(H,17,19)
• InChIKey: LZRASMVWGHHYFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.366247
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7949044
• LogD (pH = 7.4): 1.7944647
• Log P: 1.7949104
• Molar Refractivity: 85.2389 cm^3
• Polarizability: 31.236652 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -3.21
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5