5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

C20H20F2N4O5S2 — CID 16623139

About 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 16623139) has the molecular formula C20H20F2N4O5S2 and a molecular weight of 498.53 g/mol. Its IUPAC name is 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
• PubChem CID: 16623139
• Molecular Formula: C20H20F2N4O5S2
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.08
• IUPAC Name: 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
• SMILES: Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1
• InChI: InChI=1S/C20H20F2N4O5S2/c1-12-19(32-20(28)24-12)33(29,30)26-8-6-25(7-9-26)18(27)5-4-17-23-11-16(31-17)14-3-2-13(21)10-15(14)22/h2-3,10-11H,4-9H2,1H3,(H,24,28)
• InChIKey: RJUCUFYFUFRSAS-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 116.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The IUPAC name of 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one (CID 16623139) is 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one.

What is the SMILES notation for 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The canonical SMILES for 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1.

What is the InChIKey of 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

The InChIKey is RJUCUFYFUFRSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O5S2/c1-12-19(32-20(28)24-12)33(29,30)26-8-6-25(7-9-26)18(27)5-4-17-23-11-16(31-17)14-3-2-13(21)10-15(14)22/h2-3,10-11H,4-9H2,1H3,(H,24,28).

What are the key properties of 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one?

5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 498.53 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16623139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).