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

C13H21Cl2N5O — CID 120870642

IUPAC5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
SMILESCc1cnc(CN2CCNCC2c2nccn2C)o1.Cl.Cl
InChIInChI=1S/C13H19N5O.2ClH/c1-10-7-16-12(19-10)9-18-6-3-14-8-11(18)13-15-4-5-17(13)2;;/h4-5,7,11,14H,3,6,8-9H2,1-2H3;2*1H
InChIKeySSWULGAHHXJRCW-UHFFFAOYSA-N
MW334.25 g/mol
LogP1.71
Rot. Bonds3

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

5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride (PubChem CID 120870642) has the molecular formula C13H21Cl2N5O and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
PubChem CID120870642
Molecular FormulaC13H21Cl2N5O
Molecular Weight334.25 g/mol
Exact Mass333.11
IUPAC Name5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
SMILESCc1cnc(CN2CCNCC2c2nccn2C)o1.Cl.Cl
InChIInChI=1S/C13H19N5O.2ClH/c1-10-7-16-12(19-10)9-18-6-3-14-8-11(18)13-15-4-5-17(13)2;;/h4-5,7,11,14H,3,6,8-9H2,1-2H3;2*1H
InChIKeySSWULGAHHXJRCW-UHFFFAOYSA-N
XLogP1.71
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
3-[(4-fluorophenoxy)methyl]-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870962
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120870598
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride?
The IUPAC name of 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride (CID 120870642) is 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride.
What is the SMILES notation for 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride?
The canonical SMILES for 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride is Cc1cnc(CN2CCNCC2c2nccn2C)o1.Cl.Cl.
What is the InChIKey of 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride?
The InChIKey is SSWULGAHHXJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.2ClH/c1-10-7-16-12(19-10)9-18-6-3-14-8-11(18)13-15-4-5-17(13)2;;/h4-5,7,11,14H,3,6,8-9H2,1-2H3;2*1H.
What are the key properties of 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride?
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride has a molecular weight of 334.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride is sourced from PubChem (CID 120870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).