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

C15H20ClN5O — CID 120755250

IUPAC5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H19N5O.ClH/c1-2-12(8-16-5-1)13-9-17-6-7-20(13)10-14-18-15(21-19-14)11-3-4-11;/h1-2,5,8,11,13,17H,3-4,6-7,9-10H2;1H
InChIKeyPTNFTPYGUGYQPM-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.91
Rot. Bonds4

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

5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120755250) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120755250
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H19N5O.ClH/c1-2-12(8-16-5-1)13-9-17-6-7-20(13)10-14-18-15(21-19-14)11-3-4-11;/h1-2,5,8,11,13,17H,3-4,6-7,9-10H2;1H
InChIKeyPTNFTPYGUGYQPM-UHFFFAOYSA-N
XLogP1.91
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758089
3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 120754243
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-cyclobutyl-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120767763
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730321
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;dihydrochloride
CID 120755583
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120755250) is 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride is Cl.c1cncc(C2CNCCN2Cc2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is PTNFTPYGUGYQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-2-12(8-16-5-1)13-9-17-6-7-20(13)10-14-18-15(21-19-14)11-3-4-11;/h1-2,5,8,11,13,17H,3-4,6-7,9-10H2;1H.
What are the key properties of 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride?
5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120755250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).