Basic information
- CAS
52867-99-9- Standard SMILES
CCCCn1c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3)CC2)oc1=O- InChIKey
SVODBGOHTOUHOZ-UHFFFAOYSA-N- Molecular formula
- C25H30FN3O2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.23220537
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 3-butyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 3-butyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Names & synonyms
BRN 11866182(3H)-Oxazolone, 3-butyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-52867-99-9DTXSID102008973-Butyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazoloneRefChem:241688DTXCID40123388CHEMBL3080563-Butyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2(3H)-one
Database identifiers
- CAS
52867-99-9- PubChem CID
- 3040751
- DTXSID
DTXSID10200897- ChEMBL
CHEMBL308056
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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