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

C10H17N3O2 — CID 115080194

IUPAC2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN1CCC(c2noc(CCO)n2)C1
InChIInChI=1S/C10H17N3O2/c1-2-13-5-3-8(7-13)10-11-9(4-6-14)15-12-10/h8,14H,2-7H2,1H3
InChIKeyOJMGAVJUUXYDJV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.41
Rot. Bonds4

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

2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115080194) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115080194
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCN1CCC(c2noc(CCO)n2)C1
InChIInChI=1S/C10H17N3O2/c1-2-13-5-3-8(7-13)10-11-9(4-6-14)15-12-10/h8,14H,2-7H2,1H3
InChIKeyOJMGAVJUUXYDJV-UHFFFAOYSA-N
XLogP0.41
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081555
2-[3-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080195
1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080219
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517
3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081722
1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115080085
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79657503
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 115080194) is 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is CCN1CCC(c2noc(CCO)n2)C1.
What is the InChIKey of 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is OJMGAVJUUXYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-13-5-3-8(7-13)10-11-9(4-6-14)15-12-10/h8,14H,2-7H2,1H3.
What are the key properties of 2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.41, 4 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)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115080194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).