4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one

C11H11BrN4O3 — CID 26623776

IUPAC4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1
InChIInChI=1S/C11H11BrN4O3/c12-8-2-1-7(18-8)11-15-14-10(19-11)6-16-4-3-13-9(17)5-16/h1-2H,3-6H2,(H,13,17)
InChIKeyVTMCEVFDILAXHG-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.02
Rot. Bonds3

About 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one

4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (PubChem CID 26623776) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
PubChem CID26623776
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1
InChIInChI=1S/C11H11BrN4O3/c12-8-2-1-7(18-8)11-15-14-10(19-11)6-16-4-3-13-9(17)5-16/h1-2H,3-6H2,(H,13,17)
InChIKeyVTMCEVFDILAXHG-UHFFFAOYSA-N
XLogP1.02
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (CID 26623776) is 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is O=C1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1.
What is the InChIKey of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The InChIKey is VTMCEVFDILAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c12-8-2-1-7(18-8)11-15-14-10(19-11)6-16-4-3-13-9(17)5-16/h1-2H,3-6H2,(H,13,17).
What are the key properties of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one has a molecular weight of 327.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 26623776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).