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

C14H22N6O2 — CID 56802652

IUPAC3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC(Cn3cncn3)C2)n1
InChIInChI=1S/C14H22N6O2/c1-21-6-4-13-17-14(22-18-13)9-19-5-2-3-12(7-19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3
InChIKeyIHMRGXLDXPBIQO-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.76
Rot. Bonds7

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

3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56802652) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56802652
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC(Cn3cncn3)C2)n1
InChIInChI=1S/C14H22N6O2/c1-21-6-4-13-17-14(22-18-13)9-19-5-2-3-12(7-19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3
InChIKeyIHMRGXLDXPBIQO-UHFFFAOYSA-N
XLogP0.76
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56802652) is 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC(Cn3cncn3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is IHMRGXLDXPBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-21-6-4-13-17-14(22-18-13)9-19-5-2-3-12(7-19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56802652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).