5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C8H14N4O — CID 104975721

IUPAC5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2ncno2)CCN1
InChIInChI=1S/C8H14N4O/c1-7-4-12(3-2-9-7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1
InChIKeyRGLXDPUOXZAWQO-SSDOTTSWSA-N
MW182.23 g/mol
LogP-0.14
Rot. Bonds2

About 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 104975721) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID104975721
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2ncno2)CCN1
InChIInChI=1S/C8H14N4O/c1-7-4-12(3-2-9-7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1
InChIKeyRGLXDPUOXZAWQO-SSDOTTSWSA-N
XLogP-0.14
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
(3S)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 115277620
1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine
CID 65250263
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 141212566
4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130927622
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 104975721) is 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is C[C@@H]1CN(Cc2ncno2)CCN1.
What is the InChIKey of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RGLXDPUOXZAWQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-4-12(3-2-9-7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 182.23 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 104975721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).