Basic information
- CAS
331847-78-0- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(F)(F)F- InChIKey
LUEUUJFNNSILRG-UHFFFAOYSA-N- Molecular formula
- C18H12ClF3N2O2
- Average molar mass
- 380.7 g/mol
- Monoisotopic mass
- 380.0539398
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
- IUPAC
- 3-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
- English name
- 3-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide
- Molecular formula
- C18H12ClF3N2O2
- Molecular weight
- 380.75
Names & synonyms
3-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide331847-78-03-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-4-isoxazolecarboxamideCHEMBL5567498STK417291AKOS000672960ST50918011AG-690/37071209SR-01000478241SR-01000478241-1[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-N-[2-(trifluoromethyl)phenyl]carbox amide3-(2-chlorophenyl)-5-methyl-N-(2-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
Show more names
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
331847-78-0- PubChem CID
- 1118255
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 424.8 · 424.8±45.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- pka
- 10.9 · 10.90±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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