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

C14H26N4O — CID 106408608

IUPAC3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)C1CNC(C(C)(C)C)CN1Cc1ncon1
InChIInChI=1S/C14H26N4O/c1-10(2)11-6-15-12(14(3,4)5)7-18(11)8-13-16-9-19-17-13/h9-12,15H,6-8H2,1-5H3
InChIKeyAQSYFJBLEFDANG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.91
Rot. Bonds3

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

3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408608) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408608
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)C1CNC(C(C)(C)C)CN1Cc1ncon1
InChIInChI=1S/C14H26N4O/c1-10(2)11-6-15-12(14(3,4)5)7-18(11)8-13-16-9-19-17-13/h9-12,15H,6-8H2,1-5H3
InChIKeyAQSYFJBLEFDANG-UHFFFAOYSA-N
XLogP1.91
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
3-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408659
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376587
2-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376809
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408608) is 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC(C)C1CNC(C(C)(C)C)CN1Cc1ncon1.
What is the InChIKey of 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is AQSYFJBLEFDANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)11-6-15-12(14(3,4)5)7-18(11)8-13-16-9-19-17-13/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 266.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).