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

C11H6BrN3O2 — CID 888395

IUPAC5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2nc(-c3ccncc3)no2)o1
InChIInChI=1S/C11H6BrN3O2/c12-9-2-1-8(16-9)11-14-10(15-17-11)7-3-5-13-6-4-7/h1-6H
InChIKeyVCDUKXVPUCPRSI-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.15
Rot. Bonds2

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

5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 888395) has the molecular formula C11H6BrN3O2 and a molecular weight of 292.09 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID888395
Molecular FormulaC11H6BrN3O2
Molecular Weight292.09 g/mol
Exact Mass290.96
IUPAC Name5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESBrc1ccc(-c2nc(-c3ccncc3)no2)o1
InChIInChI=1S/C11H6BrN3O2/c12-9-2-1-8(16-9)11-14-10(15-17-11)7-3-5-13-6-4-7/h1-6H
InChIKeyVCDUKXVPUCPRSI-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 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 888395) is 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is Brc1ccc(-c2nc(-c3ccncc3)no2)o1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is VCDUKXVPUCPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2/c12-9-2-1-8(16-9)11-14-10(15-17-11)7-3-5-13-6-4-7/h1-6H.
What are the key properties of 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-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 5-(5-bromofuran-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 888395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).