Basic information
- Standard SMILES
O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1- InChIKey
ZHTTYLCDZHOSBW-UHFFFAOYSA-N- Molecular formula
- C22H17F3N4O5
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 474.11510414
Names & identifiers
- Preferred name
- 2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide
- IUPAC
- 2-hydroxy-N-(2-hydroxyethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
Names & synonyms
2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamideSCHEMBL2577014CHEMBL3686139BDBM131714US8835470, 71(R/S)-2-hydroxy-N-(2-hydroxyethyl)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetamide
Database identifiers
- PubChem CID
- 53496459
- ChEMBL
CHEMBL3686139
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 673
Related reactions
2 records
Compound notes
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