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

C14H11N3O2 — CID 666273

IUPAC3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C14H11N3O2/c1-18-12-7-3-2-6-11(12)13-16-14(19-17-13)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyATGWJMHVOAQPDO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds3

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

3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 666273) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID666273
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C14H11N3O2/c1-18-12-7-3-2-6-11(12)13-16-14(19-17-13)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyATGWJMHVOAQPDO-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 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 666273) is 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ATGWJMHVOAQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-18-12-7-3-2-6-11(12)13-16-14(19-17-13)10-5-4-8-15-9-10/h2-9H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-pyridin-3-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 3-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 666273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).