2(3H)-Oxazolone, 5-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-
Basic information
- CAS
120944-13-0- Standard SMILES
O=c1[nH]c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3Cl)CC2)o1- InChIKey
QUXVFCAVIRVIOM-UHFFFAOYSA-N- Molecular formula
- C21H21ClFN3O2
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1306328
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 5-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-
- IUPAC
- 5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
Names & synonyms
BRN 65392522(3H)-Oxazolone, 5-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-120944-13-05-(2-(4-(2-Chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-2(3H)-oxazoloneDTXSID50153070RefChem:241717DTXCID1075561CHEMBL3062505-{2-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl}-4-(4-fluorophenyl)-1,3-oxazol-2(3H)-one
Database identifiers
- CAS
120944-13-0- PubChem CID
- 3078367
- DTXSID
DTXSID50153070- ChEMBL
CHEMBL306250
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…