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

C20H17N3O3S — CID 53126944

IUPAC5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)c(OC)c1
InChIInChI=1S/C20H17N3O3S/c1-12-21-17(11-27-12)13-5-4-6-14(9-13)19-22-20(26-23-19)16-8-7-15(24-2)10-18(16)25-3/h4-11H,1-3H3
InChIKeyIJHKFMDKEBZKJV-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.85
Rot. Bonds5

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

5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53126944) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53126944
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)c(OC)c1
InChIInChI=1S/C20H17N3O3S/c1-12-21-17(11-27-12)13-5-4-6-14(9-13)19-22-20(26-23-19)16-8-7-15(24-2)10-18(16)25-3/h4-11H,1-3H3
InChIKeyIJHKFMDKEBZKJV-UHFFFAOYSA-N
XLogP4.85
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
1-(4-methoxyphenyl)-4-[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53126969
5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035902
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
5-(2-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035901
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
4-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole;N,2-dimethylpropanamide
CID 162733084

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole (CID 53126944) is 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is IJHKFMDKEBZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-12-21-17(11-27-12)13-5-4-6-14(9-13)19-22-20(26-23-19)16-8-7-15(24-2)10-18(16)25-3/h4-11H,1-3H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 379.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53126944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).