2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole

C9H16N4O — CID 28808825

IUPAC2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(N2CCNCC2)o1
InChIInChI=1S/C9H16N4O/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyIQGYCJGHHHJXEF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.60
Rot. Bonds2

About 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole

2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 28808825) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID28808825
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(N2CCNCC2)o1
InChIInChI=1S/C9H16N4O/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyIQGYCJGHHHJXEF-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpropyl)piperazin-2-one
CID 121538121
1-[5-(4-Methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 24255092
1-(5-Methyl-1,3,4-oxadiazol-2-yl)piperazine
CID 28808821
2-Ethyl-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808823
2-Cyclopropyl-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808827
1-(5-Methyl-1,3,4-oxadiazol-2-yl)piperazine hydrochloride
CID 52988215
N'-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
CID 57636873
[1-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanamine
CID 89339939
1-[4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110603079
2-Methyl-5-(3-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 117961977
2-Methyl-5-(2-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 117961979
Tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 117962084

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole (CID 28808825) is 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(N2CCNCC2)o1.
What is the InChIKey of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is IQGYCJGHHHJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole?
2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).