N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Basic information
- CAS
153949-31-6- Standard SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1- InChIKey
PTQFDKGYODRCCI-UHFFFAOYSA-N- Molecular formula
- C18H14ClFN2O2
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0727835
Names & identifiers
- Preferred name
- N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- IUPAC
- N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Names & synonyms
153949-31-6N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamideN-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamideZINC00250149MLS001163611SCHEMBL2156955CHEMBL1906697DTXSID801327237HMS2837E18AKOS001400341SMR000497422Z27749781
Show more names
F1201-0272N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide
Database identifiers
- CAS
153949-31-6- PubChem CID
- 769448
- DTXSID
DTXSID801327237- ChEMBL
CHEMBL1906697
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility49.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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