5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

C14H18N4O — CID 83071343

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cccc(C)n3)no2)CCCN1
InChIInChI=1S/C14H18N4O/c1-3-14(8-5-9-15-14)13-17-12(18-19-13)11-7-4-6-10(2)16-11/h4,6-7,15H,3,5,8-9H2,1-2H3
InChIKeyQDIAQRZTSQGRAP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds3

About 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 83071343) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID83071343
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cccc(C)n3)no2)CCCN1
InChIInChI=1S/C14H18N4O/c1-3-14(8-5-9-15-14)13-17-12(18-19-13)11-7-4-6-10(2)16-11/h4,6-7,15H,3,5,8-9H2,1-2H3
InChIKeyQDIAQRZTSQGRAP-UHFFFAOYSA-N
XLogP2.43
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 83071343) is 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is CCC1(c2nc(-c3cccc(C)n3)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is QDIAQRZTSQGRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-14(8-5-9-15-14)13-17-12(18-19-13)11-7-4-6-10(2)16-11/h4,6-7,15H,3,5,8-9H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83071343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).