3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole

C14H20N6O — CID 102922597

IUPAC3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2cncnc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N6O/c1-2-3-12(20-6-4-15-5-7-20)13-18-14(21-19-13)11-8-16-10-17-9-11/h8-10,12,15H,2-7H2,1H3
InChIKeyKZPPBAYUCHTSFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds5

About 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole

3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole (PubChem CID 102922597) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
PubChem CID102922597
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
SMILESCCCC(c1noc(-c2cncnc2)n1)N1CCNCC1
InChIInChI=1S/C14H20N6O/c1-2-3-12(20-6-4-15-5-7-20)13-18-14(21-19-13)11-8-16-10-17-9-11/h8-10,12,15H,2-7H2,1H3
InChIKeyKZPPBAYUCHTSFL-UHFFFAOYSA-N
XLogP1.27
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole (CID 102922597) is 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole is CCCC(c1noc(-c2cncnc2)n1)N1CCNCC1.
What is the InChIKey of 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
The InChIKey is KZPPBAYUCHTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-3-12(20-6-4-15-5-7-20)13-18-14(21-19-13)11-8-16-10-17-9-11/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole?
3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperazin-1-ylbutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 102922597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).