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

C11H19N3O3 — CID 86820513

IUPAC5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O3/c1-15-6-7-16-8-10-13-11(14-17-10)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3
InChIKeyXQQOSIVWWWADMQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.70
Rot. Bonds6

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

5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 86820513) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID86820513
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(C2CCNCC2)no1
InChIInChI=1S/C11H19N3O3/c1-15-6-7-16-8-10-13-11(14-17-10)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3
InChIKeyXQQOSIVWWWADMQ-UHFFFAOYSA-N
XLogP0.70
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.70
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-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
CID 62336678
3-cyclopropyl-5-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102954079
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115078349
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 82652996

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole (CID 86820513) is 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole is COCCOCc1nc(C2CCNCC2)no1.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is XQQOSIVWWWADMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-15-6-7-16-8-10-13-11(14-17-10)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole?
5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 241.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).