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

• ChemBase ID: 192280
• Molecular Formular: C14H11N3O2
• Molecular Mass: 253.25604
• Monoisotopic Mass: 253.08512661
• SMILES: n1c(noc1c1ccc(cc1)OC)c1ccncc1
• Canonical SMILES: COc1ccc(cc1)c1onc(n1)c1ccncc1
• InChI: InChI=1S/C14H11N3O2/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)10-6-8-15-9-7-10/h2-9H,1H3
• InChIKey: VTLMFXPYCLVBNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
• IUPAC Traditional name: 4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine

Database IDs

• PubChem SID: 164248190
• PubChem CID: 789891

CALCULATED PROPERTIES

• Log P: 2.7704675
• Molar Refractivity: 91.4931 cm^3
• Polarizability: 27.613453 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7699056
• LogD (pH = 7.4): 2.7704606

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds