n-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(pyridin-3-yloxy)phenyl]-1,3,4-oxadiazol-2-amine trifluoroacetate salt
Basic information
- Standard SMILES
FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl.O=C(O)C(F)(F)F- InChIKey
OWXZQBRZMZCUDT-UHFFFAOYSA-N- Molecular formula
- C22H13ClF6N4O4
- Average molar mass
- 546.8 g/mol
Names & identifiers
- Preferred name
- n-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[4-(pyridin-3-yloxy)phenyl]-1,3,4-oxadiazol-2-amine trifluoroacetate salt
- IUPAC
- N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;2,2,2-trifluoroacetic acid
Names & synonyms
n-[4-chloro-3-(trifluoromethyl)phenyl]-5-[4-(pyridin-3-yloxy)phenyl]-1,3,4-oxadiazol-2-amine trifluoroacetate saltSCHEMBL3534184
Database identifiers
- PubChem CID
- 86604286
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 634
Related reactions
3 records
Compound notes
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