Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(=O)NCC(F)(F)F)n3)cc2)C1- InChIKey
BIUNHQMUDJORAN-UHFFFAOYSA-N- Molecular formula
- C29H28F3N5O5
- Average molar mass
- 583.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 1-(4-(5-(3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[[4-[5-[3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
Names & synonyms
tert-butyl 1-(4-(5-(3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylateSCHEMBL2576133
Database identifiers
- PubChem CID
- 67458998
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 930
Related reactions
3 records
Compound notes
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