1-(3-methoxyphenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-2-one

• ChemBase ID: 531815
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(oc(nn1)CCC)N1CC(=O)N(c2cc(OC)ccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCN(C(=O)C1)c1cccc(c1)OC
• InChI: InChI=1S/C16H20N4O3/c1-3-5-14-17-18-16(23-14)19-8-9-20(15(21)11-19)12-6-4-7-13(10-12)22-2/h4,6-7,10H,3,5,8-9,11H2,1-2H3
• InChIKey: RKYMIQHRNKNSNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.274102
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4623033
• LogD (pH = 7.4): 1.4623036
• Log P: 1.4623038
• Molar Refractivity: 86.5261 cm^3
• Polarizability: 32.017838 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.18
• LOG S: -2.52
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5