Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2ccc3oc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3c2)cc1F- InChIKey
SZIRQIHQDUKLFO-UHFFFAOYSA-N- Molecular formula
- C26H31FN2O4
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[5-(3-fluoro-4-isopropoxyphenyl)benzo[d]oxazol-2-yl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[5-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-benzoxazol-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14242792SZIRQIHQDUKLFO-UHFFFAOYSA-NTert-butyl 4-[5-(3-fluoro-4-isopropoxyphenyl)benzo[d]oxazol-2-yl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71114211
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 661
Related reactions
1 records
Compound notes
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