Basic information
- CAS
120944-12-9- Standard SMILES
O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1- InChIKey
AFYJBMPSMJLSLL-UHFFFAOYSA-N- Molecular formula
- C22H21F4N3O2
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.15698957
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
- IUPAC
- 4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
Names & synonyms
BRN 65454652(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-120944-12-94-(4-Fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2(3H)-oxazoloneDTXSID40153069RefChem:241705DTXCID6075560CHEMBL722064-(4-Fluorophenyl)-5-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,3-oxazol-2(3H)-one
Database identifiers
- CAS
120944-12-9- PubChem CID
- 3078366
- DTXSID
DTXSID40153069- ChEMBL
CHEMBL72206
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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