Basic information
- Standard SMILES
FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCCl)cc3)co2)cc1- InChIKey
NZXNWGBTMODGCV-UHFFFAOYSA-N- Molecular formula
- C23H21ClF3NO2
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1212911
Names & identifiers
- Preferred name
- 4-[[4-(4-Chlorobutyl)phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
- IUPAC
- 4-[[4-(4-chlorobutyl)phenoxy]methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
Names & synonyms
SCHEMBL5752858
Database identifiers
- PubChem CID
- 69554195
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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