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

C16H28N4O — CID 106408641

IUPAC3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)C1CNC(C2CCCCC2)CN1Cc1ncon1
InChIInChI=1S/C16H28N4O/c1-12(2)15-8-17-14(13-6-4-3-5-7-13)9-20(15)10-16-18-11-21-19-16/h11-15,17H,3-10H2,1-2H3
InChIKeyYGUBATMTVWINQW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.45
Rot. Bonds4

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

3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408641) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408641
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)C1CNC(C2CCCCC2)CN1Cc1ncon1
InChIInChI=1S/C16H28N4O/c1-12(2)15-8-17-14(13-6-4-3-5-7-13)9-20(15)10-16-18-11-21-19-16/h11-15,17H,3-10H2,1-2H3
InChIKeyYGUBATMTVWINQW-UHFFFAOYSA-N
XLogP2.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.45
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-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408900
3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 106408595
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
5-cyclohexyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64859620
5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901858
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
5-cyclopropyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82870666
5-[2-(5-cyclopropyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408806
5-cyclopropyl-1-[(2-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 64861840

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408641) is 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC(C)C1CNC(C2CCCCC2)CN1Cc1ncon1.
What is the InChIKey of 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YGUBATMTVWINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-8-17-14(13-6-4-3-5-7-13)9-20(15)10-16-18-11-21-19-16/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).