5-Benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
Basic information
- CAS
1003221-10-0- Standard SMILES
Brc1cccc(-c2noc(Cc3ccccc3)n2)c1- InChIKey
AAJZSQXNWXQMSQ-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 5-Benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole
Names & synonyms
5-benzyl-3-(3-bromophenyl)-1,2,4-oxadiazole1003221-10-0838882-01-2DTXSID00388118HMS1624A14STK251057AKOS000617565CCG-130175NCGC00336361-01CS-0360704AB01330350-02SR-01000302490
Show more names
SR-01000302490-1
Database identifiers
- CAS
1003221-10-0- PubChem CID
- 2987261
- DTXSID
DTXSID00388118
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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