1-(3-methoxyphenyl)-2,2-dimethyl-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine

• ChemBase ID: 595341
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c1(nnc(o1)CCC)C(=O)N1CC(N(c2cc(OC)ccc2)CC1)(C)C
• Canonical SMILES: CCCc1nnc(o1)C(=O)N1CCN(C(C1)(C)C)c1cccc(c1)OC
• InChI: InChI=1S/C19H26N4O3/c1-5-7-16-20-21-17(26-16)18(24)22-10-11-23(19(2,3)13-22)14-8-6-9-15(12-14)25-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3
• InChIKey: QYRCXXHRHKAVFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxyphenyl)-2,2-dimethyl-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine
• IUPAC Traditional name: 1-(3-methoxyphenyl)-2,2-dimethyl-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine
• Synonyms: 1-(3-methoxyphenyl)-2,2-dimethyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)carbonyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1757653
• LogD (pH = 7.4): 2.176108
• Log P: 2.1761124
• Molar Refractivity: 101.07 cm^3
• Polarizability: 37.33607 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: 2.13
• LOG S: -3.63
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5