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

C13H13BrN4O2 — CID 26623780

IUPAC4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nnc(-c3ccccc3Br)o2)CCN1
InChIInChI=1S/C13H13BrN4O2/c14-10-4-2-1-3-9(10)13-17-16-12(20-13)8-18-6-5-15-11(19)7-18/h1-4H,5-8H2,(H,15,19)
InChIKeyHBOVDCDZUZCXPK-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.43
Rot. Bonds3

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

4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (PubChem CID 26623780) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
PubChem CID26623780
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nnc(-c3ccccc3Br)o2)CCN1
InChIInChI=1S/C13H13BrN4O2/c14-10-4-2-1-3-9(10)13-17-16-12(20-13)8-18-6-5-15-11(19)7-18/h1-4H,5-8H2,(H,15,19)
InChIKeyHBOVDCDZUZCXPK-UHFFFAOYSA-N
XLogP1.43
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one (CID 26623780) is 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is O=C1CN(Cc2nnc(-c3ccccc3Br)o2)CCN1.
What is the InChIKey of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
The InChIKey is HBOVDCDZUZCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-10-4-2-1-3-9(10)13-17-16-12(20-13)8-18-6-5-15-11(19)7-18/h1-4H,5-8H2,(H,15,19).
What are the key properties of 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one?
4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one has a molecular weight of 337.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 26623780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).