Basic information
- CAS
5353-46-8- Standard SMILES
O=C(CSc1nc2ccccc2o1)Nc1ccccc1[N+](=O)[O-]- InChIKey
XMFBEWRSMCIQFL-UHFFFAOYSA-N- Molecular formula
- C15H11N3O4S
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.04702701
Names & identifiers
- Preferred name
- 2-(1,3-Benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
- IUPAC
- 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
Names & synonyms
2-(1,3-Benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide5353-46-8DTXSID40344410RefChem:249629DTXCID102954852-[(1,3-Benzoxazol-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamideCBMicro_019183Cambridge id 5353468Oprea1_278614XMFBEWRSMCIQFL-UHFFFAOYSA-NCCG-7119STK723399
Show more names
AKOS001724095BIM-0019085.P001ST40207452-benzoxazol-2-ylthio-N-(2-nitrophenyl)acetamideSR-01000512494SR-01000512494-12-(1,3-benzoxazol-2-ylthio)-N-(2-nitrophenyl)acetamide2-(Benzooxazol-2-ylsulfanyl)-N-(2-nitro-phenyl)-acetamide
Database identifiers
- CAS
5353-46-8- PubChem CID
- 596702
- DTXSID
DTXSID40344410
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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