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Basic information
- Standard SMILES
Cc1noc(C)c1C1(C)C=CC(c2nc(-c3ccccc3OC(F)(F)F)no2)=CC1- InChIKey
SCTRHVAVVYOTMN-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O3
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.13002593
Names & identifiers
- Preferred name
- 5-[4-(3,5-Dimethylisoxazol-4-yl)-4-methylpheyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
- IUPAC
- 5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylcyclohexa-1,5-dien-1-yl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL14795004SCTRHVAVVYOTMN-UHFFFAOYSA-N5-[4-(3,5-dimethylisoxazol-4-yl)-4-methylpheyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 89453064
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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