Basic information
- CAS
878946-61-3- Standard SMILES
Cc1csc(=O)n1CCC(=O)OCc1nnc(-c2ccc(Cl)cc2)o1- InChIKey
BCGJJBIFJGWELU-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O4S
- Average molar mass
- 379.8 g/mol
- Monoisotopic mass
- 379.0393548
Names & identifiers
- Preferred name
- [5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3(2H)-yl)propanoate
- IUPAC
- [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
Names & synonyms
MLS002159096CHEMBL1316129DTXSID901332198HMS3014B21AKOS034579836SMR001241557Z76808275[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3(2H)-yl)propanoate[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate878946-61-3
Database identifiers
- CAS
878946-61-3- PubChem CID
- 9506554
- DTXSID
DTXSID901332198- ChEMBL
CHEMBL1316129
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Experimental & physicochemical properties
Solubility52.5 [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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