5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C12H8N4O — CID 2915136

IUPAC5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C12H8N4O/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H
InChIKeyXCDXVWKIPZDLBU-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.19
Rot. Bonds2

About 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole

5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2915136) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2915136
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C12H8N4O/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H
InChIKeyXCDXVWKIPZDLBU-UHFFFAOYSA-N
XLogP2.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 2915136) is 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole is c1cncc(-c2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is XCDXVWKIPZDLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9/h1-8H.
What are the key properties of 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 224.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2915136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).