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

C16H25N5O2 — CID 95333246

IUPAC3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC[C@H]2Cn2cc(C)cn2)n1
InChIInChI=1S/C16H25N5O2/c1-13-9-17-21(10-13)11-14-5-3-4-7-20(14)12-16-18-15(19-23-16)6-8-22-2/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHWVYHDGSATVUNP-AWEZNQCLSA-N
MW319.41 g/mol
LogP1.82
Rot. Bonds7

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

3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95333246) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95333246
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC[C@H]2Cn2cc(C)cn2)n1
InChIInChI=1S/C16H25N5O2/c1-13-9-17-21(10-13)11-14-5-3-4-7-20(14)12-16-18-15(19-23-16)6-8-22-2/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHWVYHDGSATVUNP-AWEZNQCLSA-N
XLogP1.82
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780380
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95283706
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344
3-ethyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95293109
2-(1-methylpyrazol-4-yl)-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56780516

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95333246) is 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC[C@H]2Cn2cc(C)cn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HWVYHDGSATVUNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13-9-17-21(10-13)11-14-5-3-4-7-20(14)12-16-18-15(19-23-16)6-8-22-2/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95333246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).