1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride

C18H23Cl2N3O2 — CID 120739649

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
SMILESCc1noc(C)c1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-12-14(13(2)24-21-12)7-8-18(23)22-10-9-20-11-17(22)15-5-3-4-6-16(15)19;/h3-6,17,20H,7-11H2,1-2H3;1H
InChIKeyDPQHGKPDYFYQSM-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride (PubChem CID 120739649) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
PubChem CID120739649
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
SMILESCc1noc(C)c1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C18H22ClN3O2.ClH/c1-12-14(13(2)24-21-12)7-8-18(23)22-10-9-20-11-17(22)15-5-3-4-6-16(15)19;/h3-6,17,20H,7-11H2,1-2H3;1H
InChIKeyDPQHGKPDYFYQSM-UHFFFAOYSA-N
XLogP3.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125013128
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 120738527
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;hydrochloride
CID 120738843
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120738693
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 120739739
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120738786
5-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137047146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride (CID 120739649) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride is Cc1noc(C)c1CCC(=O)N1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride?
The InChIKey is DPQHGKPDYFYQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.ClH/c1-12-14(13(2)24-21-12)7-8-18(23)22-10-9-20-11-17(22)15-5-3-4-6-16(15)19;/h3-6,17,20H,7-11H2,1-2H3;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride has a molecular weight of 384.31 g/mol, XLogP of 3.47, 4 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]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).