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

C8H14N4O — CID 130723409

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCc1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C8H14N4O/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyANQTXLDFCWRHIY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.13
Rot. Bonds1

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

2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 130723409) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID130723409
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESCc1nnc(N2CCN(C)CC2)o1
InChIInChI=1S/C8H14N4O/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyANQTXLDFCWRHIY-UHFFFAOYSA-N
XLogP0.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole (CID 130723409) is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole is Cc1nnc(N2CCN(C)CC2)o1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is ANQTXLDFCWRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole?
2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 182.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 130723409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).