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

• ChemBase ID: 736192
• Molecular Formular: C13H16N4O3
• Molecular Mass: 276.29114
• Monoisotopic Mass: 276.12224039
• SMILES: n1c(onc1COC)c1cnc(N2CCOCC2)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C13H16N4O3/c1-18-9-11-15-13(20-16-11)10-2-3-12(14-8-10)17-4-6-19-7-5-17/h2-3,8H,4-7,9H2,1H3
• InChIKey: ZLJIULFSEISJDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}morpholine
• IUPAC Traditional name: 4-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}morpholine
• Synonyms: 4-{5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.3533629
• LogD (pH = 7.4): 1.4287742
• Log P: 1.4298301
• Molar Refractivity: 84.5132 cm^3
• Polarizability: 27.710564 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.39
• LOG S: -1.47
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 3