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

• ChemBase ID: 191799
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: n1c(noc1COc1ccc(cc1)OC)c1ccncc1
• Canonical SMILES: COc1ccc(cc1)OCc1onc(n1)c1ccncc1
• InChI: InChI=1S/C15H13N3O3/c1-19-12-2-4-13(5-3-12)20-10-14-17-15(18-21-14)11-6-8-16-9-7-11/h2-9H,10H2,1H3
• InChIKey: BZTWDOCXFBUFFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247709
• PubChem CID: 699729

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4147239
• LogD (pH = 7.4): 2.4152606
• Log P: 2.4152675
• Molar Refractivity: 86.7943 cm^3
• Polarizability: 29.45598 Å^3
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds