3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C13H24N4O — CID 106408659

IUPAC3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCC1CN(Cc2ncon2)C(C(C)C)CN1
InChIInChI=1S/C13H24N4O/c1-4-5-11-7-17(8-13-15-9-18-16-13)12(6-14-11)10(2)3/h9-12,14H,4-8H2,1-3H3
InChIKeyUGOWISBBZVXOLO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.67
Rot. Bonds5

About 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408659) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408659
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCC1CN(Cc2ncon2)C(C(C)C)CN1
InChIInChI=1S/C13H24N4O/c1-4-5-11-7-17(8-13-15-9-18-16-13)12(6-14-11)10(2)3/h9-12,14H,4-8H2,1-3H3
InChIKeyUGOWISBBZVXOLO-UHFFFAOYSA-N
XLogP1.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408608
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
1-[(4-fluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine;dihydrochloride
CID 146675492
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
1-[(3-ethyl-2-pyridinyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 82748990
1-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64838193
1-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-yl-5-propylpiperazine
CID 64839360
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 103141224
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408659) is 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCCC1CN(Cc2ncon2)C(C(C)C)CN1.
What is the InChIKey of 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is UGOWISBBZVXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-5-11-7-17(8-13-15-9-18-16-13)12(6-14-11)10(2)3/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).