5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C23H21N3O3 — CID 4112917

IUPAC5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)nc2OCC)no1
InChIInChI=1S/C23H21N3O3/c1-3-27-20-13-9-8-12-17(20)23-25-21(26-29-23)18-14-15-19(24-22(18)28-4-2)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyYYLXAEXQZSJVSL-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.26
Rot. Bonds7

About 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 4112917) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID4112917
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)nc2OCC)no1
InChIInChI=1S/C23H21N3O3/c1-3-27-20-13-9-8-12-17(20)23-25-21(26-29-23)18-14-15-19(24-22(18)28-4-2)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3
InChIKeyYYLXAEXQZSJVSL-UHFFFAOYSA-N
XLogP5.26
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-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-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 4112917) is 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)nc2OCC)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YYLXAEXQZSJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-27-20-13-9-8-12-17(20)23-25-21(26-29-23)18-14-15-19(24-22(18)28-4-2)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4112917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).