3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C16H23N5O — CID 120754243

IUPAC3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCNCC2c2cccnc2)n1
InChIInChI=1S/C16H23N5O/c1-12(2)8-15-19-16(22-20-15)11-21-7-6-18-10-14(21)13-4-3-5-17-9-13/h3-5,9,12,14,18H,6-8,10-11H2,1-2H3
InChIKeyBTBDFZSISFCAIH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds5

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

3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 120754243) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID120754243
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CN2CCNCC2c2cccnc2)n1
InChIInChI=1S/C16H23N5O/c1-12(2)8-15-19-16(22-20-15)11-21-7-6-18-10-14(21)13-4-3-5-17-9-13/h3-5,9,12,14,18H,6-8,10-11H2,1-2H3
InChIKeyBTBDFZSISFCAIH-UHFFFAOYSA-N
XLogP1.81
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120755250
5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120755789
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
CID 120767732

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 120754243) is 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC(C)Cc1noc(CN2CCNCC2c2cccnc2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BTBDFZSISFCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)8-15-19-16(22-20-15)11-21-7-6-18-10-14(21)13-4-3-5-17-9-13/h3-5,9,12,14,18H,6-8,10-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120754243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).