5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C20H25N5O2 — CID 42509063

IUPAC5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(CN3CCCC[C@H]3CCn3ccnc3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-2-7-18(8-3-1)26-15-19-22-20(27-23-19)14-25-11-5-4-6-17(25)9-12-24-13-10-21-16-24/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2/t17-/m0/s1
InChIKeyMOJYXLKNVAJLDF-KRWDZBQOSA-N
MW367.45 g/mol
LogP3.29
Rot. Bonds8

About 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 42509063) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID42509063
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(CN3CCCC[C@H]3CCn3ccnc3)n2)cc1
InChIInChI=1S/C20H25N5O2/c1-2-7-18(8-3-1)26-15-19-22-20(27-23-19)14-25-11-5-4-6-17(25)9-12-24-13-10-21-16-24/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2/t17-/m0/s1
InChIKeyMOJYXLKNVAJLDF-KRWDZBQOSA-N
XLogP3.29
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[(2-chlorophenyl)methyl]-5-[[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95200978
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802
4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 70776727
5-[[(2S)-2-benzylpyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 25486784
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
5-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 78842488
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 70772970
2-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,3-benzoxazole
CID 25366019

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 42509063) is 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is c1ccc(OCc2noc(CN3CCCC[C@H]3CCn3ccnc3)n2)cc1.
What is the InChIKey of 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is MOJYXLKNVAJLDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-7-18(8-3-1)26-15-19-22-20(27-23-19)14-25-11-5-4-6-17(25)9-12-24-13-10-21-16-24/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2/t17-/m0/s1.
What are the key properties of 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 367.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42509063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).