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

C11H6BrN3O2 — CID 25009435

IUPAC2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cccnc3)o2)o1
InChIInChI=1S/C11H6BrN3O2/c12-9-4-3-8(16-9)11-15-14-10(17-11)7-2-1-5-13-6-7/h1-6H
InChIKeyQKKPQJPBWLDVJD-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.15
Rot. Bonds2

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

2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 25009435) has the molecular formula C11H6BrN3O2 and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID25009435
Molecular FormulaC11H6BrN3O2
Molecular Weight292.09 g/mol
Exact Mass290.96
IUPAC Name2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(-c3cccnc3)o2)o1
InChIInChI=1S/C11H6BrN3O2/c12-9-4-3-8(16-9)11-15-14-10(17-11)7-2-1-5-13-6-7/h1-6H
InChIKeyQKKPQJPBWLDVJD-UHFFFAOYSA-N
XLogP3.15
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 25009435) is 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is Brc1ccc(-c2nnc(-c3cccnc3)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is QKKPQJPBWLDVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2/c12-9-4-3-8(16-9)11-15-14-10(17-11)7-2-1-5-13-6-7/h1-6H.
What are the key properties of 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 292.09 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 25009435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).