(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C25H21F7N2O3S — CID 58604041

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

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58604041) has the molecular formula C25H21F7N2O3S and a molecular weight of 562.51 g/mol. Its IUPAC name is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 58604041
• Molecular Formula: C25H21F7N2O3S
• Molecular Weight: 562.51 g/mol
• Exact Mass: 562.12
• IUPAC Name: (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: COC(C)c1cnc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]2C)s1
• InChI: InChI=1S/C25H21F7N2O3S/c1-12-21(14-6-17(25(30,31)32)9-18(26)8-14)37-23(35)34(12)11-15-7-16(24(27,28)29)4-5-19(15)22-33-10-20(38-22)13(2)36-3/h4-10,12-13,21H,11H2,1-3H3/t12-,13?,21-/m0/s1
• InChIKey: RKNVFFBHQKLPFZ-WRSGWIBUSA-N
• XLogP: 7.78
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.51
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 58604041) is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is COC(C)c1cnc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]2C)s1.

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

The InChIKey is RKNVFFBHQKLPFZ-WRSGWIBUSA-N. The full InChI is InChI=1S/C25H21F7N2O3S/c1-12-21(14-6-17(25(30,31)32)9-18(26)8-14)37-23(35)34(12)11-15-7-16(24(27,28)29)4-5-19(15)22-33-10-20(38-22)13(2)36-3/h4-10,12-13,21H,11H2,1-3H3/t12-,13?,21-/m0/s1.

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

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 562.51 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[2-[5-(1-methoxyethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58604041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).