Basic information
- Standard SMILES
CCOC(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1- InChIKey
XPEHXBYYEGOUAH-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O3
- Average molar mass
- 300.23 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-(3-(trifluoromethyl)benzyl)-1,2,4-oxadiazole-3-carboxylate
- IUPAC
- ethyl 5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxylate
Names & synonyms
ethyl 5-(3-(trifluoromethyl)benzyl)-1,2,4-oxadiazole-3-carboxylateSCHEMBL893046
Database identifiers
- PubChem CID
- 66832161
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
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