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

C12H7N3O4 — CID 11999868

IUPAC5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C12H7N3O4/c16-15(17)10-7-6-9(18-10)12-13-11(14-19-12)8-4-2-1-3-5-8/h1-7H
InChIKeyRWFYEFJNLLZZGH-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.90
Rot. Bonds3

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

5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 11999868) has the molecular formula C12H7N3O4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID11999868
Molecular FormulaC12H7N3O4
Molecular Weight257.21 g/mol
Exact Mass257.04
IUPAC Name5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C12H7N3O4/c16-15(17)10-7-6-9(18-10)12-13-11(14-19-12)8-4-2-1-3-5-8/h1-7H
InChIKeyRWFYEFJNLLZZGH-UHFFFAOYSA-N
XLogP2.90
TPSA95.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole (CID 11999868) is 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is RWFYEFJNLLZZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4/c16-15(17)10-7-6-9(18-10)12-13-11(14-19-12)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole?
5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 257.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-nitrofuran-2-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 11999868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).