Basic information
- CAS
65004-20-8- Standard SMILES
Brc1ccc(-c2nc(-c3ccccc3)no2)cc1- InChIKey
CMYVEXGSBPBJHS-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-3-phenyl-1,2,4-oxadiazole
- IUPAC
- 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole
Names & synonyms
5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole65004-20-8CHEMBL3589972CDS1_004996CBMicro_036740DivK1c_006036SCHEMBL2810636DTXSID00358093BDBM50094266STK006548AKOS003338045NCGC00327201-01
Show more names
BIM-0036558.P001DB-113488AB00100525-01AB00100525-03
Database identifiers
- CAS
65004-20-8- PubChem CID
- 877112
- DTXSID
DTXSID00358093- ChEMBL
CHEMBL3589972- Nikkaji
- J1.728.225E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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