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

C21H23ClFN3O2 — CID 120754170

IUPAC3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C21H22FN3O2.ClH/c1-26-21-5-3-2-4-18(21)20-13-23-10-11-25(20)14-17-12-19(24-27-17)15-6-8-16(22)9-7-15;/h2-9,12,20,23H,10-11,13-14H2,1H3;1H
InChIKeyWEHUITNETKVHLI-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.06
Rot. Bonds5

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

3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride (PubChem CID 120754170) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
PubChem CID120754170
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cc(-c2ccc(F)cc2)no1.Cl
InChIInChI=1S/C21H22FN3O2.ClH/c1-26-21-5-3-2-4-18(21)20-13-23-10-11-25(20)14-17-12-19(24-27-17)15-6-8-16(22)9-7-15;/h2-9,12,20,23H,10-11,13-14H2,1H3;1H
InChIKeyWEHUITNETKVHLI-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

3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
3-[(4-fluorophenoxy)methyl]-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120753436
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767304

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride (CID 120754170) is 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride is COc1ccccc1C1CNCCN1Cc1cc(-c2ccc(F)cc2)no1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride?
The InChIKey is WEHUITNETKVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2.ClH/c1-26-21-5-3-2-4-18(21)20-13-23-10-11-25(20)14-17-12-19(24-27-17)15-6-8-16(22)9-7-15;/h2-9,12,20,23H,10-11,13-14H2,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride?
3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-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 3-(4-fluorophenyl)-5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 120754170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).