5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C15H13N3O2 — CID 874555

IUPAC5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(-c2cccnc2)no1
InChIInChI=1S/C15H13N3O2/c1-11-5-2-3-7-13(11)19-10-14-17-15(18-20-14)12-6-4-8-16-9-12/h2-9H,10H2,1H3
InChIKeyGVGSZMQJNKGSJY-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.02
Rot. Bonds4

About 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 874555) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID874555
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1ccccc1OCc1nc(-c2cccnc2)no1
InChIInChI=1S/C15H13N3O2/c1-11-5-2-3-7-13(11)19-10-14-17-15(18-20-14)12-6-4-8-16-9-12/h2-9H,10H2,1H3
InChIKeyGVGSZMQJNKGSJY-UHFFFAOYSA-N
XLogP3.02
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 874555) is 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1ccccc1OCc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is GVGSZMQJNKGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-5-2-3-7-13(11)19-10-14-17-15(18-20-14)12-6-4-8-16-9-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 874555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).