1-(5-Pyridin-2-yl-oxazol-2-yl)-octadecan-1-one
Basic information
- CAS
681135-60-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)c1ncc(-c2ccccn2)o1- InChIKey
FSLIASFBWRGZPB-UHFFFAOYSA-N- Molecular formula
- C26H40N2O2
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.30897852
Names & identifiers
- Preferred name
- 1-(5-Pyridin-2-yl-oxazol-2-yl)-octadecan-1-one
- IUPAC
- 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)octadecan-1-one
Names & synonyms
CHEMBL1749051-(5-Pyridin-2-yl-oxazol-2-yl)-octadecan-1-oneSCHEMBL3193003FSLIASFBWRGZPB-UHFFFAOYSA-NDTXSID001254688BDBM50163194681135-60-41-(5-(pyridin-2-yl)oxazol-2-yl)octadecan-1-one1-[5-(2-Pyridinyl)-2-oxazolyl]-1-octadecanone1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]octadecan-1-one
Database identifiers
- CAS
681135-60-4- PubChem CID
- 11486752
- DTXSID
DTXSID001254688- ChEMBL
CHEMBL174905
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 429
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Related reactions
1 records
Compound notes
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