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

C8H14N4O — CID 62674211

IUPAC5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1Cc1ncno1
InChIInChI=1S/C8H14N4O/c1-7-4-9-2-3-12(7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3
InChIKeySLTRGDZGXAYOCI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.14
Rot. Bonds2

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

5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 62674211) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID62674211
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CNCCN1Cc1ncno1
InChIInChI=1S/C8H14N4O/c1-7-4-9-2-3-12(7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3
InChIKeySLTRGDZGXAYOCI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 62674211) is 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1CNCCN1Cc1ncno1.
What is the InChIKey of 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is SLTRGDZGXAYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-4-9-2-3-12(7)5-8-10-6-11-13-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-[(2-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-[(2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 62674211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).