Basic information
- CAS
5687-31-0- Standard SMILES
Cc1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1- InChIKey
WENODMLNWFRCRX-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O2
- Average molar mass
- 305.13 g/mol
- Monoisotopic mass
- 303.98474
Names & identifiers
- Preferred name
- 2-(5-Bromo-furan-2-yl)-5-p-tolyl-[1,3,4]oxadiazole
- IUPAC
- 2-(5-bromofuran-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
Names & synonyms
5687-31-02-(5-bromofuran-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole2-(5-bromo-2-furyl)-5-(4-methylphenyl)-1,3,4-oxadiazole2-(5-Bromo-furan-2-yl)-5-p-tolyl-[1,3,4]oxadiazoleCBMicro_028103Cambridge id 5687310DTXSID20972295STK446390AKOS000578931BIM-0028025.P001ST50912942AK-968/37129009
Show more names
5-(5-bromo(2-furyl))-2-(4-methylphenyl)-1,3,4-oxadiazole
Database identifiers
- CAS
5687-31-0- PubChem CID
- 790909
- DTXSID
DTXSID20972295
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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