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

• ChemBase ID: 832298
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: n1c(noc1CCCN1CCOCC1)C1COCC1
• Canonical SMILES: O1CCN(CC1)CCCc1onc(n1)C1COCC1
• InChI: InChI=1S/C13H21N3O3/c1(4-16-5-8-17-9-6-16)2-12-14-13(15-19-12)11-3-7-18-10-11/h11H,1-10H2
• InChIKey: HFVVCTMMDQFUQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4341709
• LogD (pH = 7.4): 0.55493337
• Log P: 0.606444
• Molar Refractivity: 71.6928 cm^3
• Polarizability: 27.050423 Å^3
• Polar Surface Area: 60.62 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: -0.48
• LOG S: 0.27
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 5