4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride

C20H25Cl2N3O2S — CID 120753955

IUPAC4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1nc(-c2ccsc2)oc1C.Cl.Cl
InChIInChI=1S/C20H23N3O2S.2ClH/c1-14-17(22-20(25-14)15-7-10-26-13-15)12-23-9-8-21-11-18(23)16-5-3-4-6-19(16)24-2;;/h3-7,10,13,18,21H,8-9,11-12H2,1-2H3;2*1H
InChIKeyZYTVGXCZAZNYGJ-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.71
Rot. Bonds5

About 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride (PubChem CID 120753955) has the molecular formula C20H25Cl2N3O2S and a molecular weight of 442.41 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride
PubChem CID120753955
Molecular FormulaC20H25Cl2N3O2S
Molecular Weight442.41 g/mol
Exact Mass441.10
IUPAC Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1nc(-c2ccsc2)oc1C.Cl.Cl
InChIInChI=1S/C20H23N3O2S.2ClH/c1-14-17(22-20(25-14)15-7-10-26-13-15)12-23-9-8-21-11-18(23)16-5-3-4-6-19(16)24-2;;/h3-7,10,13,18,21H,8-9,11-12H2,1-2H3;2*1H
InChIKeyZYTVGXCZAZNYGJ-UHFFFAOYSA-N
XLogP4.71
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120767400
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 120733766
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
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2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
methyl 4-[4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42244942
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120846372
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride?
The IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride (CID 120753955) is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride is COc1ccccc1C1CNCCN1Cc1nc(-c2ccsc2)oc1C.Cl.Cl.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride?
The InChIKey is ZYTVGXCZAZNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S.2ClH/c1-14-17(22-20(25-14)15-7-10-26-13-15)12-23-9-8-21-11-18(23)16-5-3-4-6-19(16)24-2;;/h3-7,10,13,18,21H,8-9,11-12H2,1-2H3;2*1H.
What are the key properties of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride?
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride has a molecular weight of 442.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 120753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).