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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc3oc(Br)nc3c2)CC1- InChIKey
BVDDTLWVKGLEGL-UHFFFAOYSA-N- Molecular formula
- C17H21BrN2O3
- Average molar mass
- 381.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-bromobenzo[d]oxazol-5-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-bromo-1,3-benzoxazol-5-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL14157382BVDDTLWVKGLEGL-UHFFFAOYSA-NTert-butyl 4-(2-bromobenzo[d]oxazol-5-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71089553
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- 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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