1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride

C16H19Cl2N3O2 — CID 120738843

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCNCC2c2ccccc2Cl)no1.Cl
InChIInChI=1S/C16H18ClN3O2.ClH/c1-11-8-12(19-22-11)9-16(21)20-7-6-18-10-15(20)13-4-2-3-5-14(13)17;/h2-5,8,15,18H,6-7,9-10H2,1H3;1H
InChIKeyJTIAVBNSMYVIEM-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.77
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride (PubChem CID 120738843) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
PubChem CID120738843
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCNCC2c2ccccc2Cl)no1.Cl
InChIInChI=1S/C16H18ClN3O2.ClH/c1-11-8-12(19-22-11)9-16(21)20-7-6-18-10-15(20)13-4-2-3-5-14(13)17;/h2-5,8,15,18H,6-7,9-10H2,1H3;1H
InChIKeyJTIAVBNSMYVIEM-UHFFFAOYSA-N
XLogP2.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 71866977
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 120739739
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470790
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-pyridin-4-ylpiperazin-1-yl)ethanone
CID 138000455
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 120739649
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride (CID 120738843) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride is Cc1cc(CC(=O)N2CCNCC2c2ccccc2Cl)no1.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride?
The InChIKey is JTIAVBNSMYVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2.ClH/c1-11-8-12(19-22-11)9-16(21)20-7-6-18-10-15(20)13-4-2-3-5-14(13)17;/h2-5,8,15,18H,6-7,9-10H2,1H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride has a molecular weight of 356.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 120738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).