2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C22H20N4O3S — CID 50746138

About 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 50746138) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 50746138
• Molecular Formula: C22H20N4O3S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.13
• IUPAC Name: 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: CC(C)c1csc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)n1
• InChI: InChI=1S/C22H20N4O3S/c1-14(2)17-13-30-22(23-17)24-19(27)12-28-18-11-7-6-10-16(18)21-25-20(26-29-21)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,23,24,27)
• InChIKey: WZNYSKXVGHBIEQ-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 50746138) is 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)n1.

What is the InChIKey of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is WZNYSKXVGHBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14(2)17-13-30-22(23-17)24-19(27)12-28-18-11-7-6-10-16(18)21-25-20(26-29-21)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,23,24,27).

What are the key properties of 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?

2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 50746138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).