2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
Basic information
- CAS
139571-98-5- Standard SMILES
CCc1cc(NCc2nc3c(F)cccc3o2)c(=O)[nH]c1C- InChIKey
PQUACSLGWKJTOY-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O2
- Average molar mass
- 301.31 g/mol
- Monoisotopic mass
- 301.12265492
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
- IUPAC
- 5-ethyl-3-[(4-fluoro-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
Names & synonyms
139571-98-52(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-DTXSID701611122(1H)-Pyridinone, 5-ethyl-3-[[(4-fluoro-2-benzoxazolyl)methyl]amino]-6-methyl-RefChem:241266DTXCID7083603BDBM1318CHEMBL124786SCHEMBL91666815-ethyl-3-[(4-fluoro-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one5-ethyl-3-{[(4-fluoro-1,3-benzoxazol-2-yl)methyl]amino}-6-methyl-1,2-dihydropyridin-2-one5-Ethyl-3-{[(4-fluoro-1,3-benzoxazol-2-yl)methyl]amino}-6-methylpyridin-2(1H)-one
Database identifiers
- CAS
139571-98-5- PubChem CID
- 454408
- DTXSID
DTXSID70161112- ChEMBL
CHEMBL124786- Nikkaji
- J513.623G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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