(4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C26H26F3NO2S — CID 90322437

About (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 90322437) has the molecular formula C26H26F3NO2S and a molecular weight of 473.56 g/mol. Its IUPAC name is (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 90322437
• Molecular Formula: C26H26F3NO2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cc(C)sc3C)[C@H]2C)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H26F3NO2S/c1-14-6-7-22(23-11-16(3)33-18(23)5)20(8-14)13-30-17(4)24(32-25(30)31)19-9-15(2)10-21(12-19)26(27,28)29/h6-12,17,24H,13H2,1-5H3/t17-,24-/m0/s1
• InChIKey: AXGOTGREQOUEEZ-XDHUDOTRSA-N
• XLogP: 7.75
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 90322437) is (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cc(C)sc3C)[C@H]2C)cc(C(F)(F)F)c1.

What is the InChIKey of (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is AXGOTGREQOUEEZ-XDHUDOTRSA-N. The full InChI is InChI=1S/C26H26F3NO2S/c1-14-6-7-22(23-11-16(3)33-18(23)5)20(8-14)13-30-17(4)24(32-25(30)31)19-9-15(2)10-21(12-19)26(27,28)29/h6-12,17,24H,13H2,1-5H3/t17-,24-/m0/s1.

What are the key properties of (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

(4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 473.56 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[[2-(2,5-dimethylthiophen-3-yl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90322437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).