N'-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
606098-25-3- Standard SMILES
COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(F)cc1- InChIKey
DENBTNXDFSHXJB-UHFFFAOYSA-N- Molecular formula
- C19H23FN4O5
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.16524801
Names & identifiers
- Preferred name
- N'-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
- IUPAC
- N'-(4-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
- English name
- Butanediamide, N-(4-fluorophenyl)-N-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)- (9CI)
- Molecular formula
- C19H23FN4O5
- Molecular weight
- 406.41
Names & synonyms
Butanediamide, N1-(4-fluorophenyl)-N1-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-N4-(5-methyl-3-isoxazolyl)-Butanediamide, N-(4-fluorophenyl)-N-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)- (9CI)
Database identifiers
- CAS
606098-25-3- PubChem CID
- 3602072
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 697.894 · 697.894±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.733 · 12.733±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…