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

C15H13N3O2 — CID 845228

IUPAC5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-11-5-7-12(8-6-11)19-10-14-17-15(18-20-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyPUNAQZOUQOWUQK-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.02
Rot. Bonds4

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

5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 845228) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID845228
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(OCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-11-5-7-12(8-6-11)19-10-14-17-15(18-20-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3
InChIKeyPUNAQZOUQOWUQK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 845228) is 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(OCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is PUNAQZOUQOWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-5-7-12(8-6-11)19-10-14-17-15(18-20-14)13-4-2-3-9-16-13/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(4-methylphenoxy)methyl]-3-pyridin-2-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-[(4-methylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 845228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).