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

C14H11N3O2 — CID 789864

IUPAC5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3
InChIKeyUTVLFQJTGRGDDM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds3

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

5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 789864) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID789864
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3
InChIKeyUTVLFQJTGRGDDM-UHFFFAOYSA-N
XLogP2.81
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 789864) is 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is UTVLFQJTGRGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-18-11-6-4-5-10(9-11)14-16-13(17-19-14)12-7-2-3-8-15-12/h2-9H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 253.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 789864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).