Basic information
- CAS
879774-68-2- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1- InChIKey
WYPAZKOKIGVDIT-UHFFFAOYSA-N- Molecular formula
- C23H20ClN3O3
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1193192
Names & identifiers
- Preferred name
- 2-(4-chlorophenoxy)-2-methyl-N-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylbenzyl)propanamide
- IUPAC
- 2-(4-chlorophenoxy)-2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide
- English name
- 2-(4-chlorophenoxy)-2-methyl-N-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylbenzyl)propanamide
- Molecular formula
- C23H20ClN3O3
- Molecular weight
- 421.88
Names & synonyms
879774-68-22-(4-chlorophenoxy)-2-methyl-N-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylbenzyl)propanamide2-(4-chlorophenoxy)-2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamideSTK729488AKOS000469332AP-970/433751042-(4-chlorophenoxy)-2-methyl-N-(4-(oxazolo[4,5-b]pyridin-2-yl)benzyl)propanamide2-(4-chlorophenoxy)-2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzyl]propanamidePropanamide, 2-(4-chlorophenoxy)-2-methyl-N-[(4-oxazolo[4,5-b]pyridin-2-ylphenyl)methyl]-
Database identifiers
- CAS
879774-68-2- PubChem CID
- 17336688
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Boiling point
- 623.2 · 623.2±55.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…