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

C16H19N5OS — CID 120870038

IUPAC3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESCn1ccnc1C1CNCCN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)13-10-17-4-7-21(13)11-12-9-14(22-19-12)15-3-2-8-23-15/h2-3,5-6,8-9,13,17H,4,7,10-11H2,1H3
InChIKeyAIWFIKFCLOJFOD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.28
Rot. Bonds4

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

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (PubChem CID 120870038) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
PubChem CID120870038
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESCn1ccnc1C1CNCCN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)13-10-17-4-7-21(13)11-12-9-14(22-19-12)15-3-2-8-23-15/h2-3,5-6,8-9,13,17H,4,7,10-11H2,1H3
InChIKeyAIWFIKFCLOJFOD-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

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Related Compounds

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
1-[(3-methoxythiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912331
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
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
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (CID 120870038) is 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is Cn1ccnc1C1CNCCN1Cc1cc(-c2cccs2)on1.
What is the InChIKey of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is AIWFIKFCLOJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20-6-5-18-16(20)13-10-17-4-7-21(13)11-12-9-14(22-19-12)15-3-2-8-23-15/h2-3,5-6,8-9,13,17H,4,7,10-11H2,1H3.
What are the key properties of 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-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 3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 120870038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).