Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
Basic information
- CAS
654-85-3- Standard SMILES
CCOC(=O)c1nc(C)oc1C(F)(F)F- InChIKey
LZPNPKUTEBIRPQ-UHFFFAOYSA-N- Molecular formula
- C8H8F3NO3
- Average molar mass
- 223.15 g/mol
- Monoisotopic mass
- 223.0456276
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylate
- IUPAC
- ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
Names & synonyms
654-85-3Ethyl 2-methyl-5-(trifluoromethyl)-4-oxazolecarboxylateRefChem:3428994-Oxazolecarboxylic acid, 2-methyl-5-(trifluoromethyl)-, ethyl esterethyl 2-methyl-5-(trifluoromethyl)oxazole-4-carboxylateNSC617144CHEMBL2006554SCHEMBL24424625DTXSID401205576ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylateNSC-617144NCI60_005123
Show more names
E73735
Database identifiers
- CAS
654-85-3- PubChem CID
- 357620
- DTXSID
DTXSID401205576- ChEMBL
CHEMBL2006554
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…