1-(oxolan-2-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazine

• ChemBase ID: 417509
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: c1(nnc(o1)CCC)C(=O)N1CCN(CC2OCCC2)CC1
• Canonical SMILES: CCCc1nnc(o1)C(=O)N1CCN(CC1)CC1CCCO1
• InChI: InChI=1S/C15H24N4O3/c1-2-4-13-16-17-14(22-13)15(20)19-8-6-18(7-9-19)11-12-5-3-10-21-12/h12H,2-11H2,1H3
• InChIKey: BRCPTHKUBGAZLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.84265673
• LogD (pH = 7.4): 0.116589464
• Log P: 0.1641007
• Molar Refractivity: 83.306 cm^3
• Polarizability: 31.139723 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: 6
• H Donor: 0
• Log P: -0.11
• LOG S: -2.67
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5