1-[5-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-3-yl]ethanone
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Basic information
- CAS
887584-18-1- Standard SMILES
CC(=O)c1cncc(C2=NC(C)(C)CO2)c1- InChIKey
SJAWBJXHGBZSRK-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 1-[5-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-3-yl]ethanone
- IUPAC
- 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]ethanone
- English name
- 1-[5-(4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL)PYRIDIN-3-YL]ETHANONE
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
887584-18-11-[5-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-3-yl]ethanone1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]ethanone1-[5-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-3-pyridinyl]ethanone1-[5-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridin-3-yl]ethan-1-one1-(5-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)pyridin-3-yl)ethan-1-oneDTXSID901174671SBB095605AO-801/410775593-acetyl-5-(4,4-dimethyl(1,3-oxazolin-2-yl))pyridine
Database identifiers
- CAS
887584-18-1- PubChem CID
- 820446
- DTXSID
DTXSID901174671
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
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Compound notes
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