1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride

C23H27Cl2N3O3 — CID 120733766

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1nc(-c2ccccc2)oc1C.Cl.Cl
InChIInChI=1S/C23H25N3O3.2ClH/c1-16-19(25-23(29-16)17-8-4-3-5-9-17)14-22(27)26-13-12-24-15-20(26)18-10-6-7-11-21(18)28-2;;/h3-11,20,24H,12-15H2,1-2H3;2*1H
InChIKeyKRCGJZMQCUEELD-UHFFFAOYSA-N
MW464.39 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride (PubChem CID 120733766) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride
PubChem CID120733766
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1nc(-c2ccccc2)oc1C.Cl.Cl
InChIInChI=1S/C23H25N3O3.2ClH/c1-16-19(25-23(29-16)17-8-4-3-5-9-17)14-22(27)26-13-12-24-15-20(26)18-10-6-7-11-21(18)28-2;;/h3-11,20,24H,12-15H2,1-2H3;2*1H
InChIKeyKRCGJZMQCUEELD-UHFFFAOYSA-N
XLogP4.22
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730344
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
3-(1,3-benzoxazol-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120734145
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride
CID 120753955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride (CID 120733766) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)Cc1nc(-c2ccccc2)oc1C.Cl.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride?
The InChIKey is KRCGJZMQCUEELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.2ClH/c1-16-19(25-23(29-16)17-8-4-3-5-9-17)14-22(27)26-13-12-24-15-20(26)18-10-6-7-11-21(18)28-2;;/h3-11,20,24H,12-15H2,1-2H3;2*1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride has a molecular weight of 464.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).