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

C12H8N4O — CID 577830

IUPAC3,5-dipyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H
InChIKeyHUMIHJABBRXLCB-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.19
Rot. Bonds2

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

3,5-dipyridin-3-yl-1,2,4-oxadiazole (PubChem CID 577830) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 3,5-dipyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-dipyridin-3-yl-1,2,4-oxadiazole
PubChem CID577830
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name3,5-dipyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3cccnc3)n2)c1
InChIInChI=1S/C12H8N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H
InChIKeyHUMIHJABBRXLCB-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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Related Compounds

NS9283
CID 11998180
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(2-Fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2876920
Bas 07396695
CID 3156021
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
2-[5-(Pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 808216
5-(3,5-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 912581
5-(3-Fluorophenyl)-3-(4-pyridyl)-1,2,4-oxadiazole
CID 1504248
3-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763864
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)pyridine
CID 798732

Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3,5-dipyridin-3-yl-1,2,4-oxadiazole (CID 577830) is 3,5-dipyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-dipyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3,5-dipyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(-c3cccnc3)n2)c1.
What is the InChIKey of 3,5-dipyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is HUMIHJABBRXLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h1-8H.
What are the key properties of 3,5-dipyridin-3-yl-1,2,4-oxadiazole?
3,5-dipyridin-3-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 3,5-dipyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 577830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).