3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole

C13H23N3O2 — CID 116703281

IUPAC3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2CCCCN2)n1)C(C)C
InChIInChI=1S/C13H23N3O2/c1-4-17-11(9(2)3)12-15-13(18-16-12)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3
InChIKeyLSJUACSWNVPMOY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.62
Rot. Bonds5

About 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole

3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 116703281) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID116703281
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCOC(c1noc(C2CCCCN2)n1)C(C)C
InChIInChI=1S/C13H23N3O2/c1-4-17-11(9(2)3)12-15-13(18-16-12)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3
InChIKeyLSJUACSWNVPMOY-UHFFFAOYSA-N
XLogP2.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900856
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
3-(1-ethoxycycloheptyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915192

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 116703281) is 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole is CCOC(c1noc(C2CCCCN2)n1)C(C)C.
What is the InChIKey of 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is LSJUACSWNVPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-17-11(9(2)3)12-15-13(18-16-12)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 253.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116703281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).