4-[5-(5-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]pyridine

• ChemBase ID: 845757
• Molecular Formular: C13H12N4O2
• Molecular Mass: 256.25998
• Monoisotopic Mass: 256.09602564
• SMILES: n1c(c2noc(c2)CCC)onc1c1ccncc1
• Canonical SMILES: CCCc1onc(c1)c1onc(n1)c1ccncc1
• InChI: InChI=1S/C13H12N4O2/c1-2-3-10-8-11(16-18-10)13-15-12(17-19-13)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3
• InChIKey: WFXMRHNOSYGBIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(5-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
• IUPAC Traditional name: 4-[5-(5-propyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
• Synonyms: 4-[5-(5-propyl-3-isoxazolyl)-1,2,4-oxadiazol-3-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8863075
• LogD (pH = 7.4): 2.8868384
• Log P: 2.886845
• Molar Refractivity: 90.3746 cm^3
• Polarizability: 26.567404 Å^3
• Polar Surface Area: 77.84 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: 2.27
• LOG S: -3.01
• Polar Surface Area: 77.84 Å^2
• Rotatable Bonds: 4