5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole

C13H17N5O — CID 115529186

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccnc(C)n3)no2)CCNC1
InChIInChI=1S/C13H17N5O/c1-3-13(5-7-14-8-13)12-17-11(18-19-12)10-4-6-15-9(2)16-10/h4,6,14H,3,5,7-8H2,1-2H3
InChIKeyBXBODPAXIPZDES-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds3

About 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole

5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole (PubChem CID 115529186) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
PubChem CID115529186
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccnc(C)n3)no2)CCNC1
InChIInChI=1S/C13H17N5O/c1-3-13(5-7-14-8-13)12-17-11(18-19-12)10-4-6-15-9(2)16-10/h4,6,14H,3,5,7-8H2,1-2H3
InChIKeyBXBODPAXIPZDES-UHFFFAOYSA-N
XLogP1.48
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79720202
5-(4-ethylpiperidin-4-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65196406
5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 63125978
ethyl 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 115529500
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole (CID 115529186) is 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccnc(C)n3)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is BXBODPAXIPZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-13(5-7-14-8-13)12-17-11(18-19-12)10-4-6-15-9(2)16-10/h4,6,14H,3,5,7-8H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115529186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).