5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

C21H27N5O2 — CID 134700016

IUPAC5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCCN2Cc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-27-14-10-19-23-21(28-24-19)18-9-5-6-12-25(18)16-20-22-11-13-26(20)15-17-7-3-2-4-8-17/h2-4,7-8,11,13,18H,5-6,9-10,12,14-16H2,1H3
InChIKeyHYTKZWNCPDSIPT-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.23
Rot. Bonds8

About 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 134700016) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID134700016
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCCN2Cc2nccn2Cc2ccccc2)n1
InChIInChI=1S/C21H27N5O2/c1-27-14-10-19-23-21(28-24-19)18-9-5-6-12-25(18)16-20-22-11-13-26(20)15-17-7-3-2-4-8-17/h2-4,7-8,11,13,18H,5-6,9-10,12,14-16H2,1H3
InChIKeyHYTKZWNCPDSIPT-UHFFFAOYSA-N
XLogP3.23
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 95729521
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 50962042
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 134700016) is 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(C2CCCCN2Cc2nccn2Cc2ccccc2)n1.
What is the InChIKey of 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is HYTKZWNCPDSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-27-14-10-19-23-21(28-24-19)18-9-5-6-12-25(18)16-20-22-11-13-26(20)15-17-7-3-2-4-8-17/h2-4,7-8,11,13,18H,5-6,9-10,12,14-16H2,1H3.
What are the key properties of 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 381.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 134700016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).