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

• ChemBase ID: 192279
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: n1c(noc1COc1c(OC)cccc1)c1ncccc1
• Canonical SMILES: COc1ccccc1OCc1onc(n1)c1ccccn1
• InChI: InChI=1S/C15H13N3O3/c1-19-12-7-2-3-8-13(12)20-10-14-17-15(18-21-14)11-6-4-5-9-16-11/h2-9H,10H2,1H3
• InChIKey: SQNHCZQTRSLPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248189
• PubChem CID: 699738

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8023806
• LogD (pH = 7.4): 2.8023806
• Log P: 2.8023806
• Molar Refractivity: 86.4223 cm^3
• Polarizability: 29.467901 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