2,5-Dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazole
Basic information
- CAS
89150-21-0- Standard SMILES
Cc1nc(-c2cccc(C(F)(F)F)c2)c(C)o1- InChIKey
XNZADSWHPZKBBY-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO
- Average molar mass
- 241.21 g/mol
- Monoisotopic mass
- 241.07144843
Names & identifiers
- Preferred name
- 2,5-Dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazole
- IUPAC
- 2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazole
Names & synonyms
89150-21-02,5-Dimethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazoleSCHEMBL10832209DTXSID40535280XNZADSWHPZKBBY-UHFFFAOYSA-N
Database identifiers
- CAS
89150-21-0- PubChem CID
- 13293296
- DTXSID
DTXSID40535280
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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