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

C15H19N3O2 — CID 63145223

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccccc3OC)no2)CCNC1
InChIInChI=1S/C15H19N3O2/c1-3-15(8-9-16-10-15)14-17-13(18-20-14)11-6-4-5-7-12(11)19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyZPCOHKFBFRDGBN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds4

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

5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 63145223) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID63145223
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3ccccc3OC)no2)CCNC1
InChIInChI=1S/C15H19N3O2/c1-3-15(8-9-16-10-15)14-17-13(18-20-14)11-6-4-5-7-12(11)19-2/h4-7,16H,3,8-10H2,1-2H3
InChIKeyZPCOHKFBFRDGBN-UHFFFAOYSA-N
XLogP2.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-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-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 63145223) is 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is CCC1(c2nc(-c3ccccc3OC)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is ZPCOHKFBFRDGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-15(8-9-16-10-15)14-17-13(18-20-14)11-6-4-5-7-12(11)19-2/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.39, 4 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-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).