2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

C11H19N3O2 — CID 115080195

IUPAC2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)N1CCC(c2noc(CCO)n2)C1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(7-14)11-12-10(4-6-15)16-13-11/h8-9,15H,3-7H2,1-2H3
InChIKeyFRHJCHVIKBAHST-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds4

About 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115080195) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115080195
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)N1CCC(c2noc(CCO)n2)C1
InChIInChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(7-14)11-12-10(4-6-15)16-13-11/h8-9,15H,3-7H2,1-2H3
InChIKeyFRHJCHVIKBAHST-UHFFFAOYSA-N
XLogP0.80
TPSA62.39 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080194
[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079897
3-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 115081859
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79657972
N-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79663367
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
2-methyl-4-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79657510
N-propan-2-yl-3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79664896

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 115080195) is 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is CC(C)N1CCC(c2noc(CCO)n2)C1.
What is the InChIKey of 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is FRHJCHVIKBAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14-5-3-9(7-14)11-12-10(4-6-15)16-13-11/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115080195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).