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

C18H21ClFN5O — CID 120870762

IUPAC2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN5O.ClH/c1-23-8-7-21-17(23)16-10-20-6-9-24(16)11-15-12-25-18(22-15)13-2-4-14(19)5-3-13;/h2-5,7-8,12,16,20H,6,9-11H2,1H3;1H
InChIKeyJKFSKSIRFVFKHL-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.78
Rot. Bonds4

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

2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (PubChem CID 120870762) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
PubChem CID120870762
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN5O.ClH/c1-23-8-7-21-17(23)16-10-20-6-9-24(16)11-15-12-25-18(22-15)13-2-4-14(19)5-3-13;/h2-5,7-8,12,16,20H,6,9-11H2,1H3;1H
InChIKeyJKFSKSIRFVFKHL-UHFFFAOYSA-N
XLogP2.78
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
2-[(4-fluorophenoxy)methyl]-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120870745
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (CID 120870762) is 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The InChIKey is JKFSKSIRFVFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O.ClH/c1-23-8-7-21-17(23)16-10-20-6-9-24(16)11-15-12-25-18(22-15)13-2-4-14(19)5-3-13;/h2-5,7-8,12,16,20H,6,9-11H2,1H3;1H.
What are the key properties of 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 120870762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).