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

C13H16N4O — CID 63144302

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cccnc3)no2)CCNC1
InChIInChI=1S/C13H16N4O/c1-2-13(5-7-15-9-13)12-16-11(17-18-12)10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3
InChIKeyASXNBIXBDRSRFM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds3

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

5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 63144302) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID63144302
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cccnc3)no2)CCNC1
InChIInChI=1S/C13H16N4O/c1-2-13(5-7-15-9-13)12-16-11(17-18-12)10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3
InChIKeyASXNBIXBDRSRFM-UHFFFAOYSA-N
XLogP1.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560
5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529186
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 115565652
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
2-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-4H-1,4-benzoxazin-3-one
CID 56731218
(2R)-2-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-4H-1,4-benzoxazin-3-one
CID 95739521
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 63144302) is 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is CCC1(c2nc(-c3cccnc3)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ASXNBIXBDRSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-13(5-7-15-9-13)12-16-11(17-18-12)10-4-3-6-14-8-10/h3-4,6,8,15H,2,5,7,9H2,1H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63144302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).