2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole

C10H18N4O — CID 28808833

IUPAC2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCNCC2)o1
InChIInChI=1S/C10H18N4O/c1-10(2,3)8-12-13-9(15-8)14-6-4-11-5-7-14/h11H,4-7H2,1-3H3
InChIKeyWEJCPEIVJYTKGL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.78
Rot. Bonds1

About 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole

2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808833) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808833
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCNCC2)o1
InChIInChI=1S/C10H18N4O/c1-10(2,3)8-12-13-9(15-8)14-6-4-11-5-7-14/h11H,4-7H2,1-3H3
InChIKeyWEJCPEIVJYTKGL-UHFFFAOYSA-N
XLogP0.78
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808833) is 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole is CC(C)(C)c1nnc(N2CCNCC2)o1.
What is the InChIKey of 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is WEJCPEIVJYTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)8-12-13-9(15-8)14-6-4-11-5-7-14/h11H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole?
2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).