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

C19H24ClN5O2 — CID 120870308

IUPAC5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(CN3CCNCC3c3nccn3C)o2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-23-9-8-21-19(23)16-11-20-7-10-24(16)13-18-22-12-17(26-18)14-3-5-15(25-2)6-4-14;/h3-6,8-9,12,16,20H,7,10-11,13H2,1-2H3;1H
InChIKeyOFVPSHYSIXGUKL-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.65
Rot. Bonds5

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

5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (PubChem CID 120870308) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
PubChem CID120870308
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2cnc(CN3CCNCC3c3nccn3C)o2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-23-9-8-21-19(23)16-11-20-7-10-24(16)13-18-22-12-17(26-18)14-3-5-15(25-2)6-4-14;/h3-6,8-9,12,16,20H,7,10-11,13H2,1-2H3;1H
InChIKeyOFVPSHYSIXGUKL-UHFFFAOYSA-N
XLogP2.65
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride with MolForge

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Related Compounds

5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 120880696
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (CID 120870308) is 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is COc1ccc(-c2cnc(CN3CCNCC3c3nccn3C)o2)cc1.Cl.
What is the InChIKey of 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The InChIKey is OFVPSHYSIXGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-23-9-8-21-19(23)16-11-20-7-10-24(16)13-18-22-12-17(26-18)14-3-5-15(25-2)6-4-14;/h3-6,8-9,12,16,20H,7,10-11,13H2,1-2H3;1H.
What are the key properties of 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 120870308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).