5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole

C22H28N4O — CID 70756651

IUPAC5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCCCC3CCc3nccn3C)on2)cc1
InChIInChI=1S/C22H28N4O/c1-17-6-8-18(9-7-17)21-15-20(27-24-21)16-26-13-4-3-5-19(26)10-11-22-23-12-14-25(22)2/h6-9,12,14-15,19H,3-5,10-11,13,16H2,1-2H3
InChIKeyXWPSTSYRWIDFQI-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.37
Rot. Bonds6

About 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole

5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole (PubChem CID 70756651) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
PubChem CID70756651
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCc1ccc(-c2cc(CN3CCCCC3CCc3nccn3C)on2)cc1
InChIInChI=1S/C22H28N4O/c1-17-6-8-18(9-7-17)21-15-20(27-24-21)16-26-13-4-3-5-19(26)10-11-22-23-12-14-25(22)2/h6-9,12,14-15,19H,3-5,10-11,13,16H2,1-2H3
InChIKeyXWPSTSYRWIDFQI-UHFFFAOYSA-N
XLogP4.37
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 70770431
3-(4-methylphenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95609947
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
CID 120871220
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 70732316
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 56914006
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 86774588
2-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154887228
3-(4-fluorophenyl)-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 120870512
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole (CID 70756651) is 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole is Cc1ccc(-c2cc(CN3CCCCC3CCc3nccn3C)on2)cc1.
What is the InChIKey of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
The InChIKey is XWPSTSYRWIDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-6-8-18(9-7-17)21-15-20(27-24-21)16-26-13-4-3-5-19(26)10-11-22-23-12-14-25(22)2/h6-9,12,14-15,19H,3-5,10-11,13,16H2,1-2H3.
What are the key properties of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole?
5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole has a molecular weight of 364.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 70756651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).