5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C9H16N4O — CID 106408735

IUPAC5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1CCc1ncno1
InChIInChI=1S/C9H16N4O/c1-8-6-10-3-5-13(8)4-2-9-11-7-12-14-9/h7-8,10H,2-6H2,1H3
InChIKeyAGQFKXKFQVYHIZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.09
Rot. Bonds3

About 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106408735) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106408735
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1CCc1ncno1
InChIInChI=1S/C9H16N4O/c1-8-6-10-3-5-13(8)4-2-9-11-7-12-14-9/h7-8,10H,2-6H2,1H3
InChIKeyAGQFKXKFQVYHIZ-UHFFFAOYSA-N
XLogP-0.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408830
5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 141212566
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
1-[2-(cyclopenten-1-yl)ethyl]-2-methylpiperazine
CID 106172733
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
CID 82713453
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
3-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82756104
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazinan-2-one
CID 106409993

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 106408735) is 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CC1CNCCN1CCc1ncno1.
What is the InChIKey of 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is AGQFKXKFQVYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-6-10-3-5-13(8)4-2-9-11-7-12-14-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).