3-(2-(4,7-Dichlorobenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
Basic information
- CAS
135560-41-7- Standard SMILES
CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C- InChIKey
AFMYOEOCOWXZLE-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O2
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 350.0588831
Names & identifiers
- Preferred name
- 3-(2-(4,7-Dichlorobenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one
- IUPAC
- 3-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Names & synonyms
135560-41-7CHEMBL99235L 6976953-(2-(4,7-Dichlorobenzo[d]oxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one3-(2-(4,7-Dichlorobenzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-oneL-697,695Pyridinone deriv. 163-[2-(4,7-Dichlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one2-Pyridinone derivative 213-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-oneBDBM2223SCHEMBL9280809
Show more names
DTXSID001594663-[2-(4,7-dichloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-oneDB-3785153-[2-(4,7-Dichloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one3-[2-(4,7-Dichloro-2-benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone
Database identifiers
- CAS
135560-41-7- PubChem CID
- 453445
- DTXSID
DTXSID00159466- ChEMBL
CHEMBL99235- Nikkaji
- J425.106G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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