Basic information
- CAS
1874-42-6- Standard SMILES
COc1ccccc1-c1nnc(-c2ccccc2)o1- InChIKey
LVANXZXLJHUWEA-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- English name
- 2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole1874-42-6EINECS 217-501-7Oprea1_310506Oprea1_327439SCHEMBL6450847DTXSID20172051LVANXZXLJHUWEA-UHFFFAOYSA-NBDBM192664STK883919AKOS003577371ST095213
Show more names
1,3,4-Oxadiazole, 2-(2-methoxyphenyl)-5-phenyl-
NS000261302-methoxy-1-(5-phenyl(1,3,4-oxadiazol-2-yl))benzene2-phenyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole (2f)
Database identifiers
- CAS
1874-42-6- PubChem CID
- 74643
- DTXSID
DTXSID20172051- EC Number
- 217-501-7
- Nikkaji
- J199.688F
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
- 281
Physicochemical properties
- Melting point
- 99 · 99-101°C
- Boiling point
- 422.4 · 422.4±47.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- -5.38 · -5.38±0.34(Predicted)
Chemistry & industry
Suppliers6 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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