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

C13H21N3O4 — CID 106743688

IUPAC3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOC1(c2noc(C3(O)CCNC3)n2)CCOCC1
InChIInChI=1S/C13H21N3O4/c1-2-19-13(4-7-18-8-5-13)10-15-11(20-16-10)12(17)3-6-14-9-12/h14,17H,2-9H2,1H3
InChIKeyVBCFKGRKWSLVJR-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.29
Rot. Bonds4

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

3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743688) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743688
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCOC1(c2noc(C3(O)CCNC3)n2)CCOCC1
InChIInChI=1S/C13H21N3O4/c1-2-19-13(4-7-18-8-5-13)10-15-11(20-16-10)12(17)3-6-14-9-12/h14,17H,2-9H2,1H3
InChIKeyVBCFKGRKWSLVJR-UHFFFAOYSA-N
XLogP0.29
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116742298
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484
3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983493
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743556
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116742254

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743688) is 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCOC1(c2noc(C3(O)CCNC3)n2)CCOCC1.
What is the InChIKey of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is VBCFKGRKWSLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-19-13(4-7-18-8-5-13)10-15-11(20-16-10)12(17)3-6-14-9-12/h14,17H,2-9H2,1H3.
What are the key properties of 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 283.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).