2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H19N3O2 — CID 115080219

IUPAC2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN1CCC(Cc2noc(CCO)n2)C1
InChIInChI=1S/C11H19N3O2/c1-2-14-5-3-9(8-14)7-10-12-11(4-6-15)16-13-10/h9,15H,2-8H2,1H3
InChIKeyZXVGXKGQWGBPFK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.49
Rot. Bonds5

About 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115080219) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115080219
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN1CCC(Cc2noc(CCO)n2)C1
InChIInChI=1S/C11H19N3O2/c1-2-14-5-3-9(8-14)7-10-12-11(4-6-15)16-13-10/h9,15H,2-8H2,1H3
InChIKeyZXVGXKGQWGBPFK-UHFFFAOYSA-N
XLogP0.49
TPSA62.39 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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 115080219) is 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is CCN1CCC(Cc2noc(CCO)n2)C1.
What is the InChIKey of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is ZXVGXKGQWGBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-14-5-3-9(8-14)7-10-12-11(4-6-15)16-13-10/h9,15H,2-8H2,1H3.
What are the key properties of 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115080219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).