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

C8H4N6O4 — CID 62944634

IUPAC5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ncn[nH]3)no2)o1
InChIInChI=1S/C8H4N6O4/c15-14(16)5-2-1-4(17-5)8-11-7(13-18-8)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKeyAMJFMIOFRZZONV-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.02
Rot. Bonds3

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

5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 62944634) has the molecular formula C8H4N6O4 and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID62944634
Molecular FormulaC8H4N6O4
Molecular Weight248.16 g/mol
Exact Mass248.03
IUPAC Name5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ncn[nH]3)no2)o1
InChIInChI=1S/C8H4N6O4/c15-14(16)5-2-1-4(17-5)8-11-7(13-18-8)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKeyAMJFMIOFRZZONV-UHFFFAOYSA-N
XLogP1.02
TPSA136.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 62944634) is 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nc(-c3ncn[nH]3)no2)o1.
What is the InChIKey of 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AMJFMIOFRZZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N6O4/c15-14(16)5-2-1-4(17-5)8-11-7(13-18-8)6-9-3-10-12-6/h1-3H,(H,9,10,12).
What are the key properties of 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 248.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitrofuran-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 62944634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).