3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C11H19N3O2 — CID 64539424

IUPAC3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C2CNCC2C)n1
InChIInChI=1S/C11H19N3O2/c1-4-15-8(3)10-13-11(16-14-10)9-6-12-5-7(9)2/h7-9,12H,4-6H2,1-3H3
InChIKeyDIZCNNFKMAFFMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds4

About 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 64539424) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID64539424
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C2CNCC2C)n1
InChIInChI=1S/C11H19N3O2/c1-4-15-8(3)10-13-11(16-14-10)9-6-12-5-7(9)2/h7-9,12H,4-6H2,1-3H3
InChIKeyDIZCNNFKMAFFMG-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxybutyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702223
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704462
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201404
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216885
3-cyclopropyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63721270
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200944
5-(4-methylpyrrolidin-3-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65423850

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 64539424) is 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC(C)c1noc(C2CNCC2C)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DIZCNNFKMAFFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-15-8(3)10-13-11(16-14-10)9-6-12-5-7(9)2/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 64539424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).