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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cc3o2)CC1- InChIKey
FZPKJZAUPLAKHU-UHFFFAOYSA-N- Molecular formula
- C17H21BrN2O3
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.07356
Names & identifiers
- Preferred name
- Tert-butyl 4-(6-bromobenzo[d]oxazol-2-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(6-bromo-1,3-benzoxazol-2-yl)piperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(6-bromobenzo[d]oxazol-2-yl)piperidine-1-carboxylateSCHEMBL14157385SCHEMBL29507063FZPKJZAUPLAKHU-UHFFFAOYSA-NDB-4197141415992-20-9
Database identifiers
- PubChem CID
- 71089554
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
1 records
Compound notes
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