5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C14H11N3O — CID 700561

IUPAC5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N3O/c1-10-6-2-3-7-11(10)14-16-13(17-18-14)12-8-4-5-9-15-12/h2-9H,1H3
InChIKeyYRLWLALGGVGICR-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

About 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 700561) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID700561
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11N3O/c1-10-6-2-3-7-11(10)14-16-13(17-18-14)12-8-4-5-9-15-12/h2-9H,1H3
InChIKeyYRLWLALGGVGICR-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 700561) is 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is YRLWLALGGVGICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-6-2-3-7-11(10)14-16-13(17-18-14)12-8-4-5-9-15-12/h2-9H,1H3.
What are the key properties of 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 237.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 700561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).