3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H25N5O2 — CID 71926958

IUPAC3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCCC(c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyMXFBDYJPLDIDJV-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.58
Rot. Bonds6

About 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 71926958) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID71926958
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCCC(c3cc(C)[nH]n3)C2)n1
InChIInChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyMXFBDYJPLDIDJV-UHFFFAOYSA-N
XLogP2.58
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 71926958) is 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCOC(C)c1noc(CN2CCCC(c3cc(C)[nH]n3)C2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MXFBDYJPLDIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-22-12(3)16-17-15(23-20-16)10-21-7-5-6-13(9-21)14-8-11(2)18-19-14/h8,12-13H,4-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71926958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).