3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C13H23N3O3 — CID 102926760

IUPAC3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCOCCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C13H23N3O3/c1-17-7-8-18-6-4-12-15-13(19-16-12)9-11-3-2-5-14-10-11/h11,14H,2-10H2,1H3
InChIKeyBXVRRENQLKXBKS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.82
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 102926760) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID102926760
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCOCCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C13H23N3O3/c1-17-7-8-18-6-4-12-15-13(19-16-12)9-11-3-2-5-14-10-11/h11,14H,2-10H2,1H3
InChIKeyBXVRRENQLKXBKS-UHFFFAOYSA-N
XLogP0.82
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
2-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106483053
3-[cyclopropyl(methoxy)methyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703367
3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62688942
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 102926760) is 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is COCCOCCc1noc(CC2CCCNC2)n1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BXVRRENQLKXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-17-7-8-18-6-4-12-15-13(19-16-12)9-11-3-2-5-14-10-11/h11,14H,2-10H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 269.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102926760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).