2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
Basic information
- CAS
81513-96-4- Standard SMILES
O=c1oc2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
XSYHGQBDXPLCNF-UHFFFAOYSA-N- Molecular formula
- C20H20F3N3O2
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.15076138
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
- IUPAC
- 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
- English name
- 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzooxazol-2- one
- Molecular formula
- C20H20F3N3O2
- Molecular weight
- 0
Names & synonyms
81513-96-4BRN 56539412(3H)-Benzoxazolone, 3-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-(2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2(3H)-benzoxazoloneDTXSID40231159RefChem:241509DTXCID90153650CHEMBL3572433-(2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,3-benzoxazol-2(3H)-one3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzooxazol-2- one
Database identifiers
- CAS
81513-96-4- PubChem CID
- 3067415
- DTXSID
DTXSID40231159- ChEMBL
CHEMBL357243
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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