[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate

C17H14N4O3S — CID 66587343

IUPAC[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1
InChIInChI=1S/C17H14N4O3S/c1-10-7-21-8-14(18-17(21)25-10)12-4-3-5-13(6-12)16-19-15(24-20-16)9-23-11(2)22/h3-8H,9H2,1-2H3
InChIKeyDGBKZOGXXQBCSX-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.48
Rot. Bonds4

About [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate

[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate (PubChem CID 66587343) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
PubChem CID66587343
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1
InChIInChI=1S/C17H14N4O3S/c1-10-7-21-8-14(18-17(21)25-10)12-4-3-5-13(6-12)16-19-15(24-20-16)9-23-11(2)22/h3-8H,9H2,1-2H3
InChIKeyDGBKZOGXXQBCSX-UHFFFAOYSA-N
XLogP3.48
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate with MolForge

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

Launch Full Analysis

Related Compounds

[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100127
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634572
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxybenzoate
CID 9011220
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-hydroxybenzoate
CID 9412685
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamidonaphthalene-2-carboxylate
CID 33106792
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 46511581
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562849
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 55486110

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate?
The IUPAC name of [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate (CID 66587343) is [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate.
What is the SMILES notation for [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate?
The canonical SMILES for [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate is CC(=O)OCc1nc(-c2cccc(-c3cn4cc(C)sc4n3)c2)no1.
What is the InChIKey of [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate?
The InChIKey is DGBKZOGXXQBCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-10-7-21-8-14(18-17(21)25-10)12-4-3-5-13(6-12)16-19-15(24-20-16)9-23-11(2)22/h3-8H,9H2,1-2H3.
What are the key properties of [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate?
[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate has a molecular weight of 354.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate is sourced from PubChem (CID 66587343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).