3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C9H16N4O — CID 54592607

IUPAC3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-7(9-11-8(2)12-14-9)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyRNZABCDPRFSXQG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds2

About 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 54592607) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID54592607
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-7(9-11-8(2)12-14-9)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyRNZABCDPRFSXQG-UHFFFAOYSA-N
XLogP0.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 54592607) is 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is Cc1noc(C(C)N2CCNCC2)n1.
What is the InChIKey of 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is RNZABCDPRFSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(9-11-8(2)12-14-9)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 54592607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).