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

• ChemBase ID: 396605
• Molecular Formular: C13H17N5O2
• Molecular Mass: 275.30638
• Monoisotopic Mass: 275.13822481
• SMILES: n1c(noc1C(N1CCOCC1)CC)c1nnccc1
• Canonical SMILES: CCC(c1onc(n1)c1cccnn1)N1CCOCC1
• InChI: InChI=1S/C13H17N5O2/c1-2-11(18-6-8-19-9-7-18)13-15-12(17-20-13)10-4-3-5-14-16-10/h3-5,11H,2,6-9H2,1H3
• InChIKey: LWUALIGBWRCHFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.49812073
• LogD (pH = 7.4): 0.978818
• Log P: 0.9901824
• Molar Refractivity: 85.3817 cm^3
• Polarizability: 28.356943 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.04
• LOG S: -1.09
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4