3-(4-Bromophenyl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
Basic information
- Standard SMILES
CCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1OCC- InChIKey
QRVSRJQXEWNNOH-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O3
- Average molar mass
- 389.2 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
- IUPAC
- 3-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazole
Names & synonyms
3-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-1,2,4-oxadiazoleSCHEMBL566785QRVSRJQXEWNNOH-UHFFFAOYSA-NSTK323460AKOS003341241
Database identifiers
- PubChem CID
- 2199235
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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