3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

C12H21N3O2 — CID 113391100

IUPAC3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCOC(C)Cc1noc(CCC2CCNC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(16-2)7-11-14-12(17-15-11)4-3-10-5-6-13-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyZVGLLLIJRGWBRA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds6

About 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 113391100) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID113391100
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCOC(C)Cc1noc(CCC2CCNC2)n1
InChIInChI=1S/C12H21N3O2/c1-9(16-2)7-11-14-12(17-15-11)4-3-10-5-6-13-8-10/h9-10,13H,3-8H2,1-2H3
InChIKeyZVGLLLIJRGWBRA-UHFFFAOYSA-N
XLogP1.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
5-(2-pyrrolidin-3-ylethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 104880611
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
5-propyl-3-(2-pyrrolidin-3-ylethoxymethyl)-1,2,4-oxadiazole
CID 114796047
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 120837019
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 62216698
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (CID 113391100) is 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is COC(C)Cc1noc(CCC2CCNC2)n1.
What is the InChIKey of 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is ZVGLLLIJRGWBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(16-2)7-11-14-12(17-15-11)4-3-10-5-6-13-8-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 113391100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).