5-(4-Nitrophenyl)-3-(2-thienyl)-1,2,4-oxadiazole

HCID 718694
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1
InChIKey
PJKOCQRSHMZZPS-UHFFFAOYSA-N
Molecular formula
C12H7N3O3S
Average molar mass
273.27 g/mol

Names & identifiers

Preferred name
5-(4-Nitrophenyl)-3-(2-thienyl)-1,2,4-oxadiazole
IUPAC
5-(4-nitrophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole

Names & synonyms

5-(4-nitrophenyl)-3-(2-thienyl)-1,2,4-oxadiazoleSCHEMBL11725505PJKOCQRSHMZZPS-UHFFFAOYSA-NSTK774394AKOS001728900ST0733332-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]thiophene5-(4-nitrophenyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

Database identifiers

PubChem CID
718694

Properties

Computed structural properties

XLogP
3
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

Related reactions

5 records
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Compound notes

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