3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole

C20H17N3O2S — CID 50838865

IUPAC3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-24-16-10-8-15(9-11-16)20-22-18(25-23-20)12-19-21-17(13-26-19)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3
InChIKeyYGUSNGQGFYLVQW-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.85
Rot. Bonds6

About 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole

3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (PubChem CID 50838865) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
PubChem CID50838865
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-24-16-10-8-15(9-11-16)20-22-18(25-23-20)12-19-21-17(13-26-19)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3
InChIKeyYGUSNGQGFYLVQW-UHFFFAOYSA-N
XLogP4.85
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-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 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole (CID 50838865) is 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is CCOc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is YGUSNGQGFYLVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-24-16-10-8-15(9-11-16)20-22-18(25-23-20)12-19-21-17(13-26-19)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole?
3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 363.44 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50838865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).