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

C6H2Br2N2O2 — CID 106856548

IUPAC2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C6H2Br2N2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyLSBJRRZIKWYHKV-UHFFFAOYSA-N
MW293.90 g/mol
LogP2.85
Rot. Bonds1

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

2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole (PubChem CID 106856548) has the molecular formula C6H2Br2N2O2 and a molecular weight of 293.90 g/mol. Its IUPAC name is 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
PubChem CID106856548
Molecular FormulaC6H2Br2N2O2
Molecular Weight293.90 g/mol
Exact Mass291.85
IUPAC Name2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C6H2Br2N2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H
InChIKeyLSBJRRZIKWYHKV-UHFFFAOYSA-N
XLogP2.85
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.90
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole (CID 106856548) is 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole is Brc1nnc(-c2ccoc2Br)o1.
What is the InChIKey of 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is LSBJRRZIKWYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2O2/c7-4-3(1-2-11-4)5-9-10-6(8)12-5/h1-2H.
What are the key properties of 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole?
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 293.90 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 106856548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).