2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole

C10H18N4O — CID 28808829

IUPAC2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(N2CCNCC2)o1
InChIInChI=1S/C10H18N4O/c1-8(2)7-9-12-13-10(15-9)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3
InChIKeyDESMNKGLJQOHBN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.68
Rot. Bonds3

About 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole

2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808829) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808829
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCC(C)Cc1nnc(N2CCNCC2)o1
InChIInChI=1S/C10H18N4O/c1-8(2)7-9-12-13-10(15-9)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3
InChIKeyDESMNKGLJQOHBN-UHFFFAOYSA-N
XLogP0.68
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808829) is 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole is CC(C)Cc1nnc(N2CCNCC2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is DESMNKGLJQOHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)7-9-12-13-10(15-9)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).