N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide

C20H24F3N3O3S — CID 70440228

About N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide

N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide (PubChem CID 70440228) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide
• PubChem CID: 70440228
• Molecular Formula: C20H24F3N3O3S
• Molecular Weight: 443.49 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide
• SMILES: CNC(=O)COc1ccc(CC(C)N2CC(c3csc(C(F)(F)F)n3)OC2C)cc1
• InChI: InChI=1S/C20H24F3N3O3S/c1-12(8-14-4-6-15(7-5-14)28-10-18(27)24-3)26-9-17(29-13(26)2)16-11-30-19(25-16)20(21,22)23/h4-7,11-13,17H,8-10H2,1-3H3,(H,24,27)
• InChIKey: WARCVEGPBPZPGG-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.49
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide?

The IUPAC name of N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide (CID 70440228) is N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide.

What is the SMILES notation for N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide?

The canonical SMILES for N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide is CNC(=O)COc1ccc(CC(C)N2CC(c3csc(C(F)(F)F)n3)OC2C)cc1.

What is the InChIKey of N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide?

The InChIKey is WARCVEGPBPZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-12(8-14-4-6-15(7-5-14)28-10-18(27)24-3)26-9-17(29-13(26)2)16-11-30-19(25-16)20(21,22)23/h4-7,11-13,17H,8-10H2,1-3H3,(H,24,27).

What are the key properties of N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide?

N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide has a molecular weight of 443.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[4-[2-[2-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3-oxazolidin-3-yl]propyl]phenoxy]acetamide is sourced from PubChem (CID 70440228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).