3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C11H17N3O3 — CID 106743556

IUPAC3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC1(c2noc(C3(O)CCNC3)n2)CCCO1
InChIInChI=1S/C11H17N3O3/c1-10(3-2-6-16-10)8-13-9(17-14-8)11(15)4-5-12-7-11/h12,15H,2-7H2,1H3
InChIKeyORGRWYAQXOQNLO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.28
Rot. Bonds2

About 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743556) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743556
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC1(c2noc(C3(O)CCNC3)n2)CCCO1
InChIInChI=1S/C11H17N3O3/c1-10(3-2-6-16-10)8-13-9(17-14-8)11(15)4-5-12-7-11/h12,15H,2-7H2,1H3
InChIKeyORGRWYAQXOQNLO-UHFFFAOYSA-N
XLogP0.28
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methyloxan-2-yl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983445
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743688
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743618
[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440197
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
5-(1,4-diazepan-1-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690233
4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 80690241
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
5-(azetidin-3-ylmethyl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80690666

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743556) is 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CC1(c2noc(C3(O)CCNC3)n2)CCCO1.
What is the InChIKey of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is ORGRWYAQXOQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-10(3-2-6-16-10)8-13-9(17-14-8)11(15)4-5-12-7-11/h12,15H,2-7H2,1H3.
What are the key properties of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 239.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).