Basic information
- CAS
878915-29-8- Standard SMILES
CCc1noc(C)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1- InChIKey
CNKISUFBANOJBE-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O4
- Average molar mass
- 336.77 g/mol
- Monoisotopic mass
- 336.0876847
Names & identifiers
- Preferred name
- [2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
MLS002251784CHEMBL2143787DTXSID801323354HMS3081A13AKOS001223854[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate878915-29-8SMR001314162Z665925642-{[(4-Chlorophenyl)methyl]amino}-2-oxoethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
Database identifiers
- CAS
878915-29-8- PubChem CID
- 9502444
- DTXSID
DTXSID801323354- ChEMBL
CHEMBL2143787
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Solubility8.4 [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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