Basic information
- CAS
1021436-50-9- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2nc(C3(c4ccc(F)cc4)CC3)no2)CC1- InChIKey
UKMKWTCUYFOULV-UHFFFAOYSA-N- Molecular formula
- C21H27FN4O3
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.2067189
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
Names & synonyms
DTXSID2011092611,1-Dimethylethyl 4-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinecarboxylate1021436-50-9
Database identifiers
- CAS
1021436-50-9- PubChem CID
- 165367488
- DTXSID
DTXSID201109261
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…