2-Ethyl-1-[2-methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]butan-1-one
Basic information
- CAS
5920-59-2- Standard SMILES
CCC(CC)C(=O)N1CCN(C(=O)Cc2noc(-c3cccc(C(F)(F)F)c3)n2)CC1C- InChIKey
JDDJWUBOYZGEPY-UHFFFAOYSA-N- Molecular formula
- C22H27F3N4O3
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.20352522
Names & identifiers
- Preferred name
- 2-Ethyl-1-[2-methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]butan-1-one
- IUPAC
- 2-ethyl-1-[2-methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetyl]piperazin-1-yl]butan-1-one
Names & synonyms
5920-59-2DTXSID109746272-Ethyl-1-[2-methyl-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}acetyl)piperazin-1-yl]butan-1-one
Database identifiers
- CAS
5920-59-2- PubChem CID
- 5204032
- DTXSID
DTXSID10974627
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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