(4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C94H76Cl3F15IN5O16 — CID 159049826

About (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 159049826) has the molecular formula C94H76Cl3F15IN5O16 and a molecular weight of 2049.89 g/mol. Its IUPAC name is (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 159049826
• Molecular Formula: C94H76Cl3F15IN5O16
• Molecular Weight: 2049.89 g/mol
• Exact Mass: 2047.32
• IUPAC Name: (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: CC(=O)[C@@H]1OC(=O)N[C@H]1c1cccc(C(F)(F)F)c1.CC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1cccc(C(F)(F)F)c1.CC[C@@H]1OC(=O)N[C@H]1c1cccc(C(F)(F)F)c1.Clc1ccc(Oc2ccc(I)cc2)cc1.O=C1N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](CO)O1.O=C1O[C@@H](CO)[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C24H19ClF3NO3.C23H17ClF3NO4.C12H8ClIO.C12H10F3NO3.C12H12F3NO2.C11H10F3NO3/c1-2-21-22(15-4-3-5-16(14-15)24(26,27)28)29(23(30)32-21)18-8-12-20(13-9-18)31-19-10-6-17(25)7-11-19;24-16-4-8-18(9-5-16)31-19-10-6-17(7-11-19)28-21(20(13-29)32-22(28)30)14-2-1-3-15(12-14)23(25,26)27;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-6(17)10-9(16-11(18)19-10)7-3-2-4-8(5-7)12(13,14)15;1-2-9-10(16-11(17)18-9)7-4-3-5-8(6-7)12(13,14)15;12-11(13,14)7-3-1-2-6(4-7)9-8(5-16)18-10(17)15-9/h3-14,21-22H,2H2,1H3;1-12,20-21,29H,13H2;1-8H;2-5,9-10H,1H3,(H,16,18);3-6,9-10H,2H2,1H3,(H,16,17);1-4,8-9,16H,5H2,(H,15,17)/t21-,22-;20-,21-;;2*9-,10-;8-,9-/m00.000/s1
• InChIKey: JXCWYKNPKQRLOJ-PYYMYQBLSA-N
• XLogP: 26.13
• TPSA: 259.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2049.89
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 159049826) is (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC(=O)[C@@H]1OC(=O)N[C@H]1c1cccc(C(F)(F)F)c1.CC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1cccc(C(F)(F)F)c1.CC[C@@H]1OC(=O)N[C@H]1c1cccc(C(F)(F)F)c1.Clc1ccc(Oc2ccc(I)cc2)cc1.O=C1N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](CO)O1.O=C1O[C@@H](CO)[C@H](c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.

What is the InChIKey of (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is JXCWYKNPKQRLOJ-PYYMYQBLSA-N. The full InChI is InChI=1S/C24H19ClF3NO3.C23H17ClF3NO4.C12H8ClIO.C12H10F3NO3.C12H12F3NO2.C11H10F3NO3/c1-2-21-22(15-4-3-5-16(14-15)24(26,27)28)29(23(30)32-21)18-8-12-20(13-9-18)31-19-10-6-17(25)7-11-19;24-16-4-8-18(9-5-16)31-19-10-6-17(7-11-19)28-21(20(13-29)32-22(28)30)14-2-1-3-15(12-14)23(25,26)27;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-6(17)10-9(16-11(18)19-10)7-3-2-4-8(5-7)12(13,14)15;1-2-9-10(16-11(17)18-9)7-4-3-5-8(6-7)12(13,14)15;12-11(13,14)7-3-1-2-6(4-7)9-8(5-16)18-10(17)15-9/h3-14,21-22H,2H2,1H3;1-12,20-21,29H,13H2;1-8H;2-5,9-10H,1H3,(H,16,18);3-6,9-10H,2H2,1H3,(H,16,17);1-4,8-9,16H,5H2,(H,15,17)/t21-,22-;20-,21-;;2*9-,10-;8-,9-/m00.000/s1.

What are the key properties of (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

(4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 2049.89 g/mol, XLogP of 26.13, 18 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-acetyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;1-chloro-4-(4-iodophenoxy)benzene;(4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[4-(4-chlorophenoxy)phenyl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5S)-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159049826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).