3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C11H19N3O2 — CID 106814721

IUPAC3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOCCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-15-7-5-10-13-11(16-14-10)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyXCCJFLZDSXNQEF-VIFPVBQESA-N
MW225.29 g/mol
LogP1.12
Rot. Bonds5

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

3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 106814721) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID106814721
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOCCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-2-15-7-5-10-13-11(16-14-10)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyXCCJFLZDSXNQEF-VIFPVBQESA-N
XLogP1.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 106815656
3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814652
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 106814721) is 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is CCOCCc1noc([C@H]2CCCNC2)n1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is XCCJFLZDSXNQEF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-15-7-5-10-13-11(16-14-10)9-4-3-6-12-8-9/h9,12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 106814721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).