Basic information
- CAS
1172929-22-4- Standard SMILES
O=C1CC(c2nc(-c3ccc(Br)cc3)no2)CN1Cc1ccccc1Cl- InChIKey
SJZVHQVVOQMFIC-UHFFFAOYSA-N- Molecular formula
- C19H15BrClN3O2
- Average molar mass
- 432.7 g/mol
- Monoisotopic mass
- 431.00362
Names & identifiers
- Preferred name
- 4-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-chlorophenyl)methyl]-2-pyrrolidinone
- IUPAC
- 4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
Names & synonyms
DTXSID3011274584-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-chlorophenyl)methyl]-2-pyrrolidinone1172929-22-44-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
Database identifiers
- CAS
1172929-22-4- PubChem CID
- 44094011
- DTXSID
DTXSID301127458
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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