5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C9H16N4O — CID 141212559

IUPAC5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2ncno2)[C@@H](C)CN1
InChIInChI=1S/C9H16N4O/c1-7-4-13(8(2)3-10-7)5-9-11-6-12-14-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyFCPYSLVFLAOHFP-SFYZADRCSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds2

About 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 141212559) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID141212559
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2ncno2)[C@@H](C)CN1
InChIInChI=1S/C9H16N4O/c1-7-4-13(8(2)3-10-7)5-9-11-6-12-14-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyFCPYSLVFLAOHFP-SFYZADRCSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 141212559) is 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is C[C@@H]1CN(Cc2ncno2)[C@@H](C)CN1.
What is the InChIKey of 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is FCPYSLVFLAOHFP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-4-13(8(2)3-10-7)5-9-11-6-12-14-9/h6-8,10H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141212559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).