Basic information
- CAS
842-79-5- Standard SMILES
COc1ccc(-c2nnc(-c3ccccc3)o2)cc1- InChIKey
PGLXSBJEJSUXOB-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- English name
- 2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.26798
Names & synonyms
2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole842-79-5NSC90371EINECS 212-675-0Cambridge id 5404114Oprea1_440867Oprea1_8241641,3,4-Oxadiazole,2-(4-methoxyphenyl)-5-phenyl-MLS001001223CHEMBL1374655SCHEMBL29121418DTXSID50233124
Show more names
2-Phenyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-(4-methoxyphenyl)-5-phenyl-methyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl ether
PGLXSBJEJSUXOB-UHFFFAOYSA-NBDBM192666HMS1581A19HMS2816B13NSC 90371NSC-90371STK415601AKOS000495361
Database identifiers
- CAS
842-79-5- PubChem CID
- 70052
- DTXSID
DTXSID50233124- ChEMBL
CHEMBL1374655- EC Number
- 212-675-0
- Nikkaji
- J195.114I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 413.3 · 413.3±47.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- -4.58 · -4.58±0.37(Predicted)
Chemistry & industry
Suppliers4 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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