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

C6H2BrClN2O2 — CID 130767613

IUPAC2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(-c2coc(Br)c2)o1
InChIInChI=1S/C6H2BrClN2O2/c7-4-1-3(2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyLIHYEFJOGDTGMT-UHFFFAOYSA-N
MW249.45 g/mol
LogP2.75
Rot. Bonds1

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

2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole (PubChem CID 130767613) has the molecular formula C6H2BrClN2O2 and a molecular weight of 249.45 g/mol. Its IUPAC name is 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
PubChem CID130767613
Molecular FormulaC6H2BrClN2O2
Molecular Weight249.45 g/mol
Exact Mass247.90
IUPAC Name2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
SMILESClc1nnc(-c2coc(Br)c2)o1
InChIInChI=1S/C6H2BrClN2O2/c7-4-1-3(2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyLIHYEFJOGDTGMT-UHFFFAOYSA-N
XLogP2.75
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole (CID 130767613) is 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole is Clc1nnc(-c2coc(Br)c2)o1.
What is the InChIKey of 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is LIHYEFJOGDTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2O2/c7-4-1-3(2-11-4)5-9-10-6(8)12-5/h1-2H.
What are the key properties of 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole?
2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 249.45 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 130767613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).