5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

C11H6N4O3S — CID 2740103

IUPAC5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)cs1
InChIInChI=1S/C11H6N4O3S/c16-15(17)9-5-7(6-19-9)11-13-10(14-18-11)8-3-1-2-4-12-8/h1-6H
InChIKeyWEEMTLZDWQOOKJ-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.77
Rot. Bonds3

About 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2740103) has the molecular formula C11H6N4O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2740103
Molecular FormulaC11H6N4O3S
Molecular Weight274.26 g/mol
Exact Mass274.02
IUPAC Name5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)cs1
InChIInChI=1S/C11H6N4O3S/c16-15(17)9-5-7(6-19-9)11-13-10(14-18-11)8-3-1-2-4-12-8/h1-6H
InChIKeyWEEMTLZDWQOOKJ-UHFFFAOYSA-N
XLogP2.77
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2740103) is 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)cs1.
What is the InChIKey of 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is WEEMTLZDWQOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O3S/c16-15(17)9-5-7(6-19-9)11-13-10(14-18-11)8-3-1-2-4-12-8/h1-6H.
What are the key properties of 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 274.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitrothiophen-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2740103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).