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

C12H8N4O — CID 699787

IUPAC2,5-dipyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C12H8N4O/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H
InChIKeyFFGFSQOCKQVECP-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.19
Rot. Bonds2

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

2,5-dipyridin-4-yl-1,3,4-oxadiazole (PubChem CID 699787) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2,5-dipyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-dipyridin-4-yl-1,3,4-oxadiazole
PubChem CID699787
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2,5-dipyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C12H8N4O/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H
InChIKeyFFGFSQOCKQVECP-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 2,5-dipyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2,5-dipyridin-4-yl-1,3,4-oxadiazole (CID 699787) is 2,5-dipyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-dipyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-dipyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(-c3ccncc3)o2)ccn1.
What is the InChIKey of 2,5-dipyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is FFGFSQOCKQVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H.
What are the key properties of 2,5-dipyridin-4-yl-1,3,4-oxadiazole?
2,5-dipyridin-4-yl-1,3,4-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 2,5-dipyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 699787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).