Basic information
- CAS
303997-12-8- Standard SMILES
CCOC(=O)c1c(OCCOC(=O)c2cccc(C(F)(F)F)c2)noc1N=CN(C)C- InChIKey
MMVKZQHTGUPTCC-UHFFFAOYSA-N- Molecular formula
- C19H20F3N3O6
- Average molar mass
- 443.4 g/mol
Names & identifiers
- Preferred name
- ethyl 5-[(E)-[(dimethylamino)methylidene]amino]-3-{2-[3-(trifluoromethyl)benzoyloxy]ethoxy}-1,2-oxazole-4-carboxylate
- IUPAC
- ethyl 5-(dimethylaminomethylideneamino)-3-[2-[3-(trifluoromethyl)benzoyl]oxyethoxy]-1,2-oxazole-4-carboxylate
- English name
- ETHYL 5-([(DIMETHYLAMINO)METHYLENE]AMINO)-3-(2-([3-(TRIFLUOROMETHYL)BENZOYL]OXY)ETHOXY)-4-ISOXAZOLECARBOXYLATE
- Molecular formula
- C19H20F3N3O6
- Molecular weight
- 443.37
Names & synonyms
ethyl 5-[(E)-[(dimethylamino)methylidene]amino]-3-{2-[3-(trifluoromethyl)benzoyloxy]ethoxy}-1,2-oxazole-4-carboxylateETHYL 5-([(DIMETHYLAMINO)METHYLENE]AMINO)-3-(2-([3-(TRIFLUOROMETHYL)BENZOYL]OXY)ETHOXY)-4-ISOXAZOLECARBOXYLATE4-Isoxazolecarboxylic acid, 5-[[(dimethylamino)methylene]amino]-3-[2-[[3-(trifluoromethyl)benzoyl]oxy]ethoxy]-, ethyl ester
Database identifiers
- CAS
303997-12-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 578.1 · 578.1±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.50(Predicted)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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