2-(4-bromophenoxy)-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
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Basic information
- CAS
689740-17-8- Standard SMILES
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(Br)cc1- InChIKey
NJDMFOIMQSTRBT-UHFFFAOYSA-N- Molecular formula
- C21H16BrN3O3
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.0375
Names & identifiers
- Preferred name
- 2-(4-bromophenoxy)-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
- IUPAC
- 2-(4-bromophenoxy)-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
- English name
- 2-(4-bromophenoxy)-N-(2-methyl-4-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide
- Molecular formula
- C21H16BrN3O3
- Molecular weight
- 438.27
Names & synonyms
2-(4-bromophenoxy)-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide2-(4-bromophenoxy)-N-(2-methyl-4-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)acetamideSTK389770AKOS000464294ST50905046AP-970/432747892-(4-bromophenoxy)-N-(2-methyl-4-(1,3-oxazolo[4,5-b]pyridin-2-yl)phenyl)acetam ideAcetamide, 2-(4-bromophenoxy)-N-(2-methyl-4-oxazolo[4,5-b]pyridin-2-ylphenyl)-
Database identifiers
- CAS
689740-17-8- PubChem CID
- 3769508
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Boiling point
- 607.4 · 607.4±55.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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