Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc3cc(-c4ccc(S(C)(=O)=O)c(F)c4)ccc3o2)CC1- InChIKey
RXGKIRFHVMEUSB-UHFFFAOYSA-N- Molecular formula
- C24H27FN2O5S
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.1624713
Names & identifiers
- Preferred name
- Tert-butyl 4-{5-[3-fluoro-4-(methylsulfonyl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[5-(3-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14243393RXGKIRFHVMEUSB-UHFFFAOYSA-NTert-butyl 4-{5-[3-fluoro-4-(methylsulfonyl)phenyl]benzo[d]oxazol-2-yl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71114583
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 803
Related reactions
1 records
Compound notes
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