3-(4-methoxyphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole

• ChemBase ID: 191678
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: n1c(noc1CCCc1ccccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1noc(n1)CCCc1ccccc1
• InChI: InChI=1S/C18H18N2O2/c1-21-16-12-10-15(11-13-16)18-19-17(22-20-18)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
• InChIKey: MFYSTINQJDJCOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 3-(4-methoxyphenyl)-5-(3-phenylpropyl)-1,2,4-oxadiazole

Database IDs

• PubChem SID: 164247588
• PubChem CID: 752285

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.807491
• LogD (pH = 7.4): 4.807491
• Log P: 4.807491
• Molar Refractivity: 96.913 cm^3
• Polarizability: 33.197475 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds