2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C21H17ClN4O3S — CID 60619291

IUPAC2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(COc3nc(-c4ccccc4Cl)no3)cs2)cc1
InChIInChI=1S/C21H17ClN4O3S/c1-13-6-8-14(9-7-13)23-18(27)10-19-24-15(12-30-19)11-28-21-25-20(26-29-21)16-4-2-3-5-17(16)22/h2-9,12H,10-11H2,1H3,(H,23,27)
InChIKeyOMYKPCVKKUOVHM-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.92
Rot. Bonds7

About 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 60619291) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID60619291
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(COc3nc(-c4ccccc4Cl)no3)cs2)cc1
InChIInChI=1S/C21H17ClN4O3S/c1-13-6-8-14(9-7-13)23-18(27)10-19-24-15(12-30-19)11-28-21-25-20(26-29-21)16-4-2-3-5-17(16)22/h2-9,12H,10-11H2,1H3,(H,23,27)
InChIKeyOMYKPCVKKUOVHM-UHFFFAOYSA-N
XLogP4.92
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 60619291) is 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nc(COc3nc(-c4ccccc4Cl)no3)cs2)cc1.
What is the InChIKey of 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is OMYKPCVKKUOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-13-6-8-14(9-7-13)23-18(27)10-19-24-15(12-30-19)11-28-21-25-20(26-29-21)16-4-2-3-5-17(16)22/h2-9,12H,10-11H2,1H3,(H,23,27).
What are the key properties of 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 440.91 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60619291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).