(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C32H32F7NO3S — CID 57397757

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 57397757) has the molecular formula C32H32F7NO3S and a molecular weight of 643.66 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 57397757
• Molecular Formula: C32H32F7NO3S
• Molecular Weight: 643.66 g/mol
• Exact Mass: 643.20
• IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: CCCSc1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1
• InChI: InChI=1S/C32H32F7NO3S/c1-6-9-44-23-7-8-24(26-14-25(17(2)3)27(33)15-28(26)42-5)20(12-23)16-40-18(4)29(43-30(40)41)19-10-21(31(34,35)36)13-22(11-19)32(37,38)39/h7-8,10-15,17-18,29H,6,9,16H2,1-5H3/t18-,29-/m0/s1
• InChIKey: HZWUMWZGCZLLHV-YRVHBCJASA-N
• XLogP: 10.25
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.66
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 57397757) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is CCCSc1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1.

What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is HZWUMWZGCZLLHV-YRVHBCJASA-N. The full InChI is InChI=1S/C32H32F7NO3S/c1-6-9-44-23-7-8-24(26-14-25(17(2)3)27(33)15-28(26)42-5)20(12-23)16-40-18(4)29(43-30(40)41)19-10-21(31(34,35)36)13-22(11-19)32(37,38)39/h7-8,10-15,17-18,29H,6,9,16H2,1-5H3/t18-,29-/m0/s1.

What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 643.66 g/mol, XLogP of 10.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propylsulfanylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57397757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).