Basic information
- CAS
879151-42-5- Standard SMILES
CCc1noc(C)c1C(=O)OCC(=O)c1ccc(NC(C)=O)cc1F- InChIKey
YGOCKJAXQMKHPD-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O5
- Average molar mass
- 348.32 g/mol
- Monoisotopic mass
- 348.11214981
Names & identifiers
- Preferred name
- 2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate879151-42-5MLS002251393CHEMBL1716443DTXSID001323348HMS3081P22AKOS001287573SMR001313795Z665953542-(4-acetamido-2-fluorophenyl)-2-oxoethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
Database identifiers
- CAS
879151-42-5- PubChem CID
- 9508232
- DTXSID
DTXSID001323348- ChEMBL
CHEMBL1716443
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Experimental & physicochemical properties
Solubility9.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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