N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-2-(4-nitrophenyl)acetamide
Basic information
- CAS
1171926-65-0- Standard SMILES
CS(=O)(=O)c1cccc(-c2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c1- InChIKey
MLBGGLKOMTXEKM-UHFFFAOYSA-N- Molecular formula
- C17H14N4O6S
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.06340535
Names & identifiers
- Preferred name
- N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-2-(4-nitrophenyl)acetamide
- IUPAC
- N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-nitrophenyl)acetamide
Names & synonyms
DTXSID401140295N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-2-(4-nitrophenyl)acetamide1171926-65-0F2645-1090N-[5-[3-(Methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-nitrobenzeneacetamideN-{5-[3-(Methanesulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-(4-nitrophenyl)acetamide
Database identifiers
- CAS
1171926-65-0- PubChem CID
- 43977451
- DTXSID
DTXSID401140295
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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