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

C14H11N3O — CID 807554

IUPAC5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyPWTJEKDYKXTIIR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.72
Rot. Bonds3

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

5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 807554) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID807554
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H11N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyPWTJEKDYKXTIIR-UHFFFAOYSA-N
XLogP2.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole (CID 807554) is 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(Cc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is PWTJEKDYKXTIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-6-11(7-3-1)10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2.
What are the key properties of 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole?
5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 237.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 807554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).