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

C18H26N4O2 — CID 124758455

IUPAC3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC[C@H]2CCc2ccccn2)n1
InChIInChI=1S/C18H26N4O2/c1-23-13-10-17-20-18(24-21-17)14-22-12-5-3-7-16(22)9-8-15-6-2-4-11-19-15/h2,4,6,11,16H,3,5,7-10,12-14H2,1H3/t16-/m0/s1
InChIKeyYQECSGLQKFBTQO-INIZCTEOSA-N
MW330.43 g/mol
LogP2.64
Rot. Bonds8

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

3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 124758455) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID124758455
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC[C@H]2CCc2ccccn2)n1
InChIInChI=1S/C18H26N4O2/c1-23-13-10-17-20-18(24-21-17)14-22-12-5-3-7-16(22)9-8-15-6-2-4-11-19-15/h2,4,6,11,16H,3,5,7-10,12-14H2,1H3/t16-/m0/s1
InChIKeyYQECSGLQKFBTQO-INIZCTEOSA-N
XLogP2.64
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 124758455) is 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC[C@H]2CCc2ccccn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YQECSGLQKFBTQO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-23-13-10-17-20-18(24-21-17)14-22-12-5-3-7-16(22)9-8-15-6-2-4-11-19-15/h2,4,6,11,16H,3,5,7-10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 330.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 124758455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).