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

C14H10N4O3 — CID 699762

IUPAC5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O3/c1-9-5-6-10(8-12(9)18(19)20)14-16-13(17-21-14)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyNVWFCLOBNVFWGR-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.02
Rot. Bonds3

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

5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 699762) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID699762
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O3/c1-9-5-6-10(8-12(9)18(19)20)14-16-13(17-21-14)11-4-2-3-7-15-11/h2-8H,1H3
InChIKeyNVWFCLOBNVFWGR-UHFFFAOYSA-N
XLogP3.02
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.02
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-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 699762) is 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is NVWFCLOBNVFWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c1-9-5-6-10(8-12(9)18(19)20)14-16-13(17-21-14)11-4-2-3-7-15-11/h2-8H,1H3.
What are the key properties of 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 282.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 699762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).