2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
Basic information
- CAS
139548-49-5- Standard SMILES
CCc1cc(NCc2nc3cccc(F)c3o2)c(=O)[nH]c1C- InChIKey
DOGNELXFBMTNQV-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-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
- IUPAC
- 5-ethyl-3-[(7-fluoro-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
Names & synonyms
139548-49-52(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-DTXSID701610962(1H)-Pyridinone, 5-ethyl-3-[[(7-fluoro-2-benzoxazolyl)methyl]amino]-6-methyl-RefChem:241270DTXCID6083587BDBM1321CHEMBL125299SCHEMBL91636565-ethyl-3-[(7-fluoro-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one5-ethyl-3-{[(7-fluoro-1,3-benzoxazol-2-yl)methyl]amino}-6-methyl-1,2-dihydropyridin-2-one5-Ethyl-3-{[(7-fluoro-1,3-benzoxazol-2-yl)methyl]amino}-6-methylpyridin-2(1H)-one
Database identifiers
- CAS
139548-49-5- PubChem CID
- 454411
- DTXSID
DTXSID70161096- ChEMBL
CHEMBL125299- Nikkaji
- J513.626A
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
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Compound notes
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