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

C13H8N4O3 — CID 867097

IUPAC5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C13H8N4O3/c18-17(19)10-6-4-9(5-7-10)13-15-12(16-20-13)11-3-1-2-8-14-11/h1-8H
InChIKeySMYVRZONZJIZTN-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.71
Rot. Bonds3

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

5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 867097) has the molecular formula C13H8N4O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID867097
Molecular FormulaC13H8N4O3
Molecular Weight268.23 g/mol
Exact Mass268.06
IUPAC Name5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C13H8N4O3/c18-17(19)10-6-4-9(5-7-10)13-15-12(16-20-13)11-3-1-2-8-14-11/h1-8H
InChIKeySMYVRZONZJIZTN-UHFFFAOYSA-N
XLogP2.71
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.71
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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Related Compounds

5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
5-(4-methoxy-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 2183720
5-(3-benzhydryloxy-5-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 141440436
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 702917
5-(3-nitro-4-pyrrolidin-1-ylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 46265071
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 99839573
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 867097) is 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is SMYVRZONZJIZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O3/c18-17(19)10-6-4-9(5-7-10)13-15-12(16-20-13)11-3-1-2-8-14-11/h1-8H.
What are the key properties of 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 268.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 867097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).