2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole

C8H7N3O — CID 67522122

IUPAC2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnco2)nc1
InChIInChI=1S/C8H7N3O/c1-2-4-9-7(3-1)5-8-11-10-6-12-8/h1-4,6H,5H2
InChIKeyRBRJVSLEPYLEFM-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.06
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole

2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 67522122) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID67522122
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnco2)nc1
InChIInChI=1S/C8H7N3O/c1-2-4-9-7(3-1)5-8-11-10-6-12-8/h1-4,6H,5H2
InChIKeyRBRJVSLEPYLEFM-UHFFFAOYSA-N
XLogP1.06
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole (CID 67522122) is 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is c1ccc(Cc2nnco2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is RBRJVSLEPYLEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-2-4-9-7(3-1)5-8-11-10-6-12-8/h1-4,6H,5H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole?
2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 161.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 67522122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).