N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenyl)acetamide
Basic information
- CAS
728884-18-2- Standard SMILES
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nonc1N1C(=O)c2ccccc2C1=O- InChIKey
QXLBHXCJWNPUGJ-UHFFFAOYSA-N- Molecular formula
- C18H11N5O6
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 393.07093309
Names & identifiers
- Preferred name
- N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenyl)acetamide
- IUPAC
- N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenyl)acetamide
Names & synonyms
728884-18-2N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenyl)acetamideN-[4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-1,2,5-oxadiazol-3-yl]-4-nitrobenzeneacetamideDTXSID201121421STK782738AKOS001726734N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenyl)acetamide
Database identifiers
- CAS
728884-18-2- PubChem CID
- 5299802
- DTXSID
DTXSID201121421
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 665
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Compound notes
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