5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C7H12N4O — CID 43162323

IUPAC5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1noc(CN2CCNCC2)n1
InChIInChI=1S/C7H12N4O/c1-3-11(4-2-8-1)5-7-9-6-10-12-7/h6,8H,1-5H2
InChIKeyNHGYSDXRXPUDFN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.53
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 43162323) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID43162323
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1noc(CN2CCNCC2)n1
InChIInChI=1S/C7H12N4O/c1-3-11(4-2-8-1)5-7-9-6-10-12-7/h6,8H,1-5H2
InChIKeyNHGYSDXRXPUDFN-UHFFFAOYSA-N
XLogP-0.53
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 43162323) is 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is c1noc(CN2CCNCC2)n1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NHGYSDXRXPUDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11(4-2-8-1)5-7-9-6-10-12-7/h6,8H,1-5H2.
What are the key properties of 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 168.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43162323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).