Basic information
- CAS
791126-21-1- Standard SMILES
Cc1onc(-c2ccccc2)c1C(=O)Nc1sccc1C#N- InChIKey
FROCLGHCSHTAGA-UHFFFAOYSA-N- Molecular formula
- C16H11N3O2S
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.05719778
Names & identifiers
- Preferred name
- N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
- IUPAC
- N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Names & synonyms
N-(3-cyanothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide791126-21-1MLS001173892CHEMBL1336436SCHEMBL26458890BDBM635578DTXSID001327588HMS1716I10HMS2910M09AKOS034077907EBC-611949SMR000595808
Show more names
US20230364057, Compound 112Z29080731
Database identifiers
- CAS
791126-21-1- PubChem CID
- 2522158
- DTXSID
DTXSID001327588- ChEMBL
CHEMBL1336436
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
Solubility23.5 [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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