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

C19H24ClN5O — CID 120871220

IUPAC5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
SMILESCc1ccc(-c2cc(CN3CCNCC3c3nccn3C)on2)cc1.Cl
InChIInChI=1S/C19H23N5O.ClH/c1-14-3-5-15(6-4-14)17-11-16(25-22-17)13-24-10-7-20-12-18(24)19-21-8-9-23(19)2;/h3-6,8-9,11,18,20H,7,10,12-13H2,1-2H3;1H
InChIKeyVCGTUWWFAKHQFW-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.95
Rot. Bonds4

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

5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride (PubChem CID 120871220) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
PubChem CID120871220
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
SMILESCc1ccc(-c2cc(CN3CCNCC3c3nccn3C)on2)cc1.Cl
InChIInChI=1S/C19H23N5O.ClH/c1-14-3-5-15(6-4-14)17-11-16(25-22-17)13-24-10-7-20-12-18(24)19-21-8-9-23(19)2;/h3-6,8-9,11,18,20H,7,10,12-13H2,1-2H3;1H
InChIKeyVCGTUWWFAKHQFW-UHFFFAOYSA-N
XLogP2.95
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 120870038
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride?
The IUPAC name of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride (CID 120871220) is 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride is Cc1ccc(-c2cc(CN3CCNCC3c3nccn3C)on2)cc1.Cl.
What is the InChIKey of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride?
The InChIKey is VCGTUWWFAKHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.ClH/c1-14-3-5-15(6-4-14)17-11-16(25-22-17)13-24-10-7-20-12-18(24)19-21-8-9-23(19)2;/h3-6,8-9,11,18,20H,7,10,12-13H2,1-2H3;1H.
What are the key properties of 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride?
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride has a molecular weight of 373.89 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 120871220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).