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

C13H9BrN2O3 — CID 750811

IUPAC5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C13H9BrN2O3/c1-17-9-4-2-8(3-5-9)12-15-13(19-16-12)10-6-7-11(14)18-10/h2-7H,1H3
InChIKeyOQDXEEZTPFZKCM-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.77
Rot. Bonds3

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

5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 750811) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID750811
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C13H9BrN2O3/c1-17-9-4-2-8(3-5-9)12-15-13(19-16-12)10-6-7-11(14)18-10/h2-7H,1H3
InChIKeyOQDXEEZTPFZKCM-UHFFFAOYSA-N
XLogP3.77
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-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-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 750811) is 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OQDXEEZTPFZKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c1-17-9-4-2-8(3-5-9)12-15-13(19-16-12)10-6-7-11(14)18-10/h2-7H,1H3.
What are the key properties of 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 321.13 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 750811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).