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

C13H9BrN2O3 — CID 717857

IUPAC3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN2O3/c1-17-9-5-3-2-4-8(9)13-15-12(16-19-13)10-6-7-11(14)18-10/h2-7H,1H3
InChIKeyQLLJJRSZQXRNKB-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.77
Rot. Bonds3

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

3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 717857) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID717857
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1nc(-c2ccc(Br)o2)no1
InChIInChI=1S/C13H9BrN2O3/c1-17-9-5-3-2-4-8(9)13-15-12(16-19-13)10-6-7-11(14)18-10/h2-7H,1H3
InChIKeyQLLJJRSZQXRNKB-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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 717857) is 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1nc(-c2ccc(Br)o2)no1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QLLJJRSZQXRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c1-17-9-5-3-2-4-8(9)13-15-12(16-19-13)10-6-7-11(14)18-10/h2-7H,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-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 3-(5-bromofuran-2-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 717857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).