3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride

C13H17ClN4O — CID 120755446

IUPAC3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2ccon2)c1
InChIInChI=1S/C13H16N4O.ClH/c1-2-11(8-14-4-1)13-9-15-5-6-17(13)10-12-3-7-18-16-12;/h1-4,7-8,13,15H,5-6,9-10H2;1H
InChIKeyDWSDPLKZCLAFHA-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.64
Rot. Bonds3

About 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride

3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride (PubChem CID 120755446) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
PubChem CID120755446
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2ccon2)c1
InChIInChI=1S/C13H16N4O.ClH/c1-2-11(8-14-4-1)13-9-15-5-6-17(13)10-12-3-7-18-16-12;/h1-4,7-8,13,15H,5-6,9-10H2;1H
InChIKeyDWSDPLKZCLAFHA-UHFFFAOYSA-N
XLogP1.64
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120755250
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride?
The IUPAC name of 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride (CID 120755446) is 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride is Cl.c1cncc(C2CNCCN2Cc2ccon2)c1.
What is the InChIKey of 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride?
The InChIKey is DWSDPLKZCLAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c1-2-11(8-14-4-1)13-9-15-5-6-17(13)10-12-3-7-18-16-12;/h1-4,7-8,13,15H,5-6,9-10H2;1H.
What are the key properties of 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride?
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 120755446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).