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

C21H23ClFN3O2 — CID 120756268

IUPAC2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(CN3CCNCC3c3cccc(F)c3)o2)cc1.Cl
InChIInChI=1S/C21H22FN3O2.ClH/c1-26-18-7-5-15(6-8-18)20-13-24-21(27-20)14-25-10-9-23-12-19(25)16-3-2-4-17(22)11-16;/h2-8,11,13,19,23H,9-10,12,14H2,1H3;1H
InChIKeyZZMFXBAWUBYRAZ-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.06
Rot. Bonds5

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

2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride (PubChem CID 120756268) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
PubChem CID120756268
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(CN3CCNCC3c3cccc(F)c3)o2)cc1.Cl
InChIInChI=1S/C21H22FN3O2.ClH/c1-26-18-7-5-15(6-8-18)20-13-24-21(27-20)14-25-10-9-23-12-19(25)16-3-2-4-17(22)11-16;/h2-8,11,13,19,23H,9-10,12,14H2,1H3;1H
InChIKeyZZMFXBAWUBYRAZ-UHFFFAOYSA-N
XLogP4.06
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
5-(4-bromophenyl)-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 120755758
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;hydrochloride
CID 120768575
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The IUPAC name of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride (CID 120756268) is 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride is COc1ccc(-c2cnc(CN3CCNCC3c3cccc(F)c3)o2)cc1.Cl.
What is the InChIKey of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
The InChIKey is ZZMFXBAWUBYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2.ClH/c1-26-18-7-5-15(6-8-18)20-13-24-21(27-20)14-25-10-9-23-12-19(25)16-3-2-4-17(22)11-16;/h2-8,11,13,19,23H,9-10,12,14H2,1H3;1H.
What are the key properties of 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride?
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride has a molecular weight of 403.89 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride is sourced from PubChem (CID 120756268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).