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

C16H19N5OS — CID 120870637

IUPAC2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCn1ccnc1C1CNCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)12-9-17-4-7-21(12)11-15-19-10-13(22-15)14-3-2-8-23-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3
InChIKeyCZHQBXLFLOYGJD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.28
Rot. Bonds4

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

2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (PubChem CID 120870637) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
PubChem CID120870637
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCn1ccnc1C1CNCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)12-9-17-4-7-21(12)11-15-19-10-13(22-15)14-3-2-8-23-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3
InChIKeyCZHQBXLFLOYGJD-UHFFFAOYSA-N
XLogP2.28
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole with MolForge

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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
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
CID 120757775
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120771142
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426
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]-2-(2-methylpropyl)-1,3-thiazole
CID 120911862
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (CID 120870637) is 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is Cn1ccnc1C1CNCCN1Cc1ncc(-c2cccs2)o1.
What is the InChIKey of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is CZHQBXLFLOYGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)12-9-17-4-7-21(12)11-15-19-10-13(22-15)14-3-2-8-23-14/h2-3,5-6,8,10,12,17H,4,7,9,11H2,1H3.
What are the key properties of 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 329.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 120870637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).