Basic information
- CAS
847-39-2- Standard SMILES
COc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1- InChIKey
ASDRGEKUFQCMBN-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- 2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
- IUPAC
- 2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole
- English name
- 2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole
- Molecular formula
- C16H14N2O3
- Molecular weight
- 282.29
Names & synonyms
2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole847-39-21,3,4-Oxadiazole, 2,5-bis(p-methoxyphenyl)-JJC6GGP59JEINECS 212-691-8NSC-904742,5-Di(4-methoxyphenyl)-1,3,4-oxadiazoleDTXSID302337081,3,4-Oxadiazole, 2,5-bis(4-methoxyphenyl)-NSC 90474RefChem:82709DTXCID20156199
Show more names
212-691-8ASDRGEKUFQCMBN-UHFFFAOYSA-NNSC90474UNII-JJC6GGP59JCambridge id 5131703Oprea1_788010CBDivE_002650SCHEMBL13004548
Database identifiers
- CAS
847-39-2- PubChem CID
- 70059
- DTXSID
DTXSID30233708- UNII
- JJC6GGP59J
- EC Number
- 212-691-8
- Nikkaji
- J195.121A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 445.3 · 445.3±55.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- -4.05 · -4.05±0.37(Predicted)
- FDA UNII
- 6 GGP59J · JJC6GGP59J
Chemistry & industry
Suppliers1 total
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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