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

• ChemBase ID: 784740
• Molecular Formular: C13H15N3O2
• Molecular Mass: 245.2771
• Monoisotopic Mass: 245.11642674
• SMILES: n1c(noc1c1cc(ncc1)CC)C1COCC1
• Canonical SMILES: CCc1nccc(c1)c1onc(n1)C1COCC1
• InChI: InChI=1S/C13H15N3O2/c1-2-11-7-9(3-5-14-11)13-15-12(16-18-13)10-4-6-17-8-10/h3,5,7,10H,2,4,6,8H2,1H3
• InChIKey: PFEWSGYBFYNGIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0019145
• LogD (pH = 7.4): 2.0028503
• Log P: 2.0028625
• Molar Refractivity: 77.4573 cm^3
• Polarizability: 25.688227 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.46
• LOG S: -2.24
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 3