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

C16H14BrN3O2 — CID 2942559

IUPAC5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-2-11-6-7-14(12(17)9-11)21-10-15-19-16(20-22-15)13-5-3-4-8-18-13/h3-9H,2,10H2,1H3
InChIKeyVRXBDBXSBOJZNL-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.04
Rot. Bonds5

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

5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2942559) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2942559
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
InChIInChI=1S/C16H14BrN3O2/c1-2-11-6-7-14(12(17)9-11)21-10-15-19-16(20-22-15)13-5-3-4-8-18-13/h3-9H,2,10H2,1H3
InChIKeyVRXBDBXSBOJZNL-UHFFFAOYSA-N
XLogP4.04
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2942559) is 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is CCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1.
What is the InChIKey of 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is VRXBDBXSBOJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-2-11-6-7-14(12(17)9-11)21-10-15-19-16(20-22-15)13-5-3-4-8-18-13/h3-9H,2,10H2,1H3.
What are the key properties of 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 360.21 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-ethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2942559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).