Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)o1- InChIKey
SGUWVLLKCZZIKO-AWEZNQCLSA-N- Molecular formula
- C18H21BrN2O3
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 2-(5-(4-bromophenyl)oxazol-2-yl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
Names & synonyms
(S)-tert-butyl 2-(5-(4-bromophenyl)oxazol-2-yl)pyrrolidine-1-carboxylateSCHEMBL386752SGUWVLLKCZZIKO-AWEZNQCLSA-N1085706-68-8DB-215273
Database identifiers
- PubChem CID
- 59345150
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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