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

• ChemBase ID: 466840
• Molecular Formular: C15H15N5O3
• Molecular Mass: 313.3113
• Monoisotopic Mass: 313.11748937
• SMILES: n1c(noc1CCc1nc(no1)C1COCC1)c1cnccc1
• Canonical SMILES: C1OCC(C1)c1noc(n1)CCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C15H15N5O3/c1-2-10(8-16-6-1)14-17-12(22-19-14)3-4-13-18-15(20-23-13)11-5-7-21-9-11/h1-2,6,8,11H,3-5,7,9H2
• InChIKey: NLJDJGFAAOYZQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6480242
• LogD (pH = 7.4): 1.6537577
• Log P: 1.6538314
• Molar Refractivity: 92.3535 cm^3
• Polarizability: 30.391975 Å^3
• Polar Surface Area: 99.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.84
• LOG S: -2.2
• Polar Surface Area: 99.96 Å^2
• Rotatable Bonds: 5