4-{2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethyl}morpholine

• ChemBase ID: 320412
• Molecular Formular: C15H27N5O2
• Molecular Mass: 309.40718
• Monoisotopic Mass: 309.21647513
• SMILES: c1(oc(nn1)CCC)N1CCN(CC1)CCN1CCOCC1
• Canonical SMILES: CCCc1nnc(o1)N1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C15H27N5O2/c1-2-3-14-16-17-15(22-14)20-8-6-18(7-9-20)4-5-19-10-12-21-13-11-19/h2-13H2,1H3
• InChIKey: KYPIBWNAADUNKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethyl}morpholine
• Synonyms: 4-{2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.3354568
• LogD (pH = 7.4): 0.30855054
• Log P: 0.6624123
• Molar Refractivity: 87.6978 cm^3
• Polarizability: 32.750835 Å^3
• Polar Surface Area: 57.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.03
• LOG S: -0.47
• Polar Surface Area: 57.87 Å^2
• Rotatable Bonds: 6