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

• ChemBase ID: 295497
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: COc1c(cccc1)c1oc(nn1)c1ccccc1
• Canonical SMILES: COc1ccccc1c1nnc(o1)c1ccccc1
• InChI: InChI=1S/C15H12N2O2/c1-18-13-10-6-5-9-12(13)15-17-16-14(19-15)11-7-3-2-4-8-11/h2-10H,1H3
• InChIKey: LVANXZXLJHUWEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
• IUPAC Traditional name: 2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
• Synonyms: 2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole; 2-(2-甲氧基苯基)-5-苯基-1,3,4-噁二唑

Database IDs

• CAS Number: 1874-42-6
• EC Number: 217-501-7
• MDL Number: MFCD00050995
• PubChem SID: 180681028
• PubChem CID: 74643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8465548
• LogD (pH = 7.4): 2.8465548
• Log P: 2.8465548
• Molar Refractivity: 93.65 cm^3
• Polarizability: 28.52771 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-101°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%