3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride

C18H22ClN5O — CID 120967347

IUPAC3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H21N5O.ClH/c1-22-9-8-20-18(22)16-12-19-7-10-23(16)13-15-11-17(24-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,16,19H,7,10,12-13H2,1H3;1H
InChIKeyGJDQHAMHQUQHEZ-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.64
Rot. Bonds4

About 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride (PubChem CID 120967347) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
PubChem CID120967347
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H21N5O.ClH/c1-22-9-8-20-18(22)16-12-19-7-10-23(16)13-15-11-17(24-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,16,19H,7,10,12-13H2,1H3;1H
InChIKeyGJDQHAMHQUQHEZ-UHFFFAOYSA-N
XLogP2.64
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085040
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride?
The IUPAC name of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride (CID 120967347) is 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride?
The InChIKey is GJDQHAMHQUQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.ClH/c1-22-9-8-20-18(22)16-12-19-7-10-23(16)13-15-11-17(24-21-15)14-5-3-2-4-6-14;/h2-6,8-9,11,16,19H,7,10,12-13H2,1H3;1H.
What are the key properties of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride?
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 120967347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).