1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride

C19H25Cl2N3O2 — CID 120739739

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
SMILESCCc1noc(CC)c1CC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-3-16-14(18(4-2)25-22-16)11-19(24)23-10-9-21-12-17(23)13-7-5-6-8-15(13)20;/h5-8,17,21H,3-4,9-12H2,1-2H3;1H
InChIKeyZZDPQMUBFBCHOD-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride (PubChem CID 120739739) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
PubChem CID120739739
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
SMILESCCc1noc(CC)c1CC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C19H24ClN3O2.ClH/c1-3-16-14(18(4-2)25-22-16)11-19(24)23-10-9-21-12-17(23)13-7-5-6-8-15(13)20;/h5-8,17,21H,3-4,9-12H2,1-2H3;1H
InChIKeyZZDPQMUBFBCHOD-UHFFFAOYSA-N
XLogP3.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879547
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
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-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
5-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137047146
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride (CID 120739739) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride is CCc1noc(CC)c1CC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The InChIKey is ZZDPQMUBFBCHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c1-3-16-14(18(4-2)25-22-16)11-19(24)23-10-9-21-12-17(23)13-7-5-6-8-15(13)20;/h5-8,17,21H,3-4,9-12H2,1-2H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.59, 5 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-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120739739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).