1-(3-Bromopyridin-4-yl)-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
Basic information
- CAS
51055-06-2- Standard SMILES
CCC(O)(C1=NC(C)(C)CO1)c1ccncc1Br- InChIKey
UQXPIJUNJHEUAU-UHFFFAOYSA-N- Molecular formula
- C13H17BrN2O2
- Average molar mass
- 313.19 g/mol
- Monoisotopic mass
- 312.04734
Names & identifiers
- Preferred name
- 1-(3-Bromopyridin-4-yl)-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol
- IUPAC
- 1-(3-bromo-4-pyridinyl)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-1-ol
Names & synonyms
51055-06-21-(3-bromopyridin-4-yl)-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propan-1-olNSC162473DTXSID90303830NSC-162473
Database identifiers
- CAS
51055-06-2- PubChem CID
- 294343
- DTXSID
DTXSID90303830
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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