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

C12H8N4O — CID 798247

IUPAC3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccnc3)n2)nc1
InChIInChI=1S/C12H8N4O/c1-2-7-14-10(5-1)11-15-12(17-16-11)9-4-3-6-13-8-9/h1-8H
InChIKeyFHRMCUAJQJVNBE-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.19
Rot. Bonds2

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

3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 798247) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID798247
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cccnc3)n2)nc1
InChIInChI=1S/C12H8N4O/c1-2-7-14-10(5-1)11-15-12(17-16-11)9-4-3-6-13-8-9/h1-8H
InChIKeyFHRMCUAJQJVNBE-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

3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096
1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
2-[5-(Pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 808216
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole (CID 798247) is 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cccnc3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FHRMCUAJQJVNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-2-7-14-10(5-1)11-15-12(17-16-11)9-4-3-6-13-8-9/h1-8H.
What are the key properties of 3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole?
3-pyridin-2-yl-5-pyridin-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-pyridin-2-yl-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 798247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).