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

C11H6N4O4 — CID 71389044

IUPAC2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(-c3ccncc3)o2)o1
InChIInChI=1S/C11H6N4O4/c16-15(17)9-2-1-8(18-9)11-14-13-10(19-11)7-3-5-12-6-4-7/h1-6H
InChIKeyPUBBKDUVBZTHRO-UHFFFAOYSA-N
MW258.19 g/mol
LogP2.30
Rot. Bonds3

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

2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 71389044) has the molecular formula C11H6N4O4 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID71389044
Molecular FormulaC11H6N4O4
Molecular Weight258.19 g/mol
Exact Mass258.04
IUPAC Name2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nnc(-c3ccncc3)o2)o1
InChIInChI=1S/C11H6N4O4/c16-15(17)9-2-1-8(18-9)11-14-13-10(19-11)7-3-5-12-6-4-7/h1-6H
InChIKeyPUBBKDUVBZTHRO-UHFFFAOYSA-N
XLogP2.30
TPSA108.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 52.30
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 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 71389044) is 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nnc(-c3ccncc3)o2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is PUBBKDUVBZTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O4/c16-15(17)9-2-1-8(18-9)11-14-13-10(19-11)7-3-5-12-6-4-7/h1-6H.
What are the key properties of 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 258.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71389044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).