(4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one

C99H92F10N16O10 — CID 158652234

About (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 158652234) has the molecular formula C99H92F10N16O10 and a molecular weight of 1855.91 g/mol. Its IUPAC name is (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 158652234
• Molecular Formula: C99H92F10N16O10
• Molecular Weight: 1855.91 g/mol
• Exact Mass: 1854.70
• IUPAC Name: (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one
• SMILES: COc1ncc(-c2ccc(C)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(F)cc(F)c2)[C@@H]1C.COc1ncc(-c2ccc(C)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cccc(OC(F)(F)F)c2)[C@@H]1C.Cc1cc([C@H]2OC(=O)N(Cc3nc(-n4ccnc4)ncc3-c3cc(-c4ccc(C)cc4C)cnc3CO)[C@H]2C)cc(C(F)(F)F)c1
• InChI: InChI=1S/C34H31F3N6O3.C33H31F4N5O4.C32H30F3N5O3/c1-19-5-6-26(21(3)9-19)24-13-27(30(17-44)39-14-24)28-15-40-32(42-8-7-38-18-42)41-29(28)16-43-22(4)31(46-33(43)45)23-10-20(2)11-25(12-23)34(35,36)37;1-18-8-9-25(19(2)10-18)22-12-26(30(44-4)38-13-22)27-14-39-31(41-15-23(34)16-41)40-28(27)17-42-20(3)29(45-32(42)43)21-6-5-7-24(11-21)46-33(35,36)37;1-17-5-6-25(18(2)7-17)21-10-26(30(42-4)36-12-21)27-13-37-31(39-14-24(35)15-39)38-28(27)16-40-19(3)29(43-32(40)41)20-8-22(33)11-23(34)9-20/h5-15,18,22,31,44H,16-17H2,1-4H3;5-14,20,23,29H,15-17H2,1-4H3;5-13,19,24,29H,14-16H2,1-4H3/t22-,31-;20-,29-;19-,29-/m000/s1
• InChIKey: IBRSVSPGSHXIQY-ZJAHJAJBSA-N
• XLogP: 20.23
• TPSA: 276.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.91
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one (CID 158652234) is (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one is COc1ncc(-c2ccc(C)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(F)cc(F)c2)[C@@H]1C.COc1ncc(-c2ccc(C)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cccc(OC(F)(F)F)c2)[C@@H]1C.Cc1cc([C@H]2OC(=O)N(Cc3nc(-n4ccnc4)ncc3-c3cc(-c4ccc(C)cc4C)cnc3CO)[C@H]2C)cc(C(F)(F)F)c1.

What is the InChIKey of (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is IBRSVSPGSHXIQY-ZJAHJAJBSA-N. The full InChI is InChI=1S/C34H31F3N6O3.C33H31F4N5O4.C32H30F3N5O3/c1-19-5-6-26(21(3)9-19)24-13-27(30(17-44)39-14-24)28-15-40-32(42-8-7-38-18-42)41-29(28)16-43-22(4)31(46-33(43)45)23-10-20(2)11-25(12-23)34(35,36)37;1-18-8-9-25(19(2)10-18)22-12-26(30(44-4)38-13-22)27-14-39-31(41-15-23(34)16-41)40-28(27)17-42-20(3)29(45-32(42)43)21-6-5-7-24(11-21)46-33(35,36)37;1-17-5-6-25(18(2)7-17)21-10-26(30(42-4)36-12-21)27-13-37-31(39-14-24(35)15-39)38-28(27)16-40-19(3)29(43-32(40)41)20-8-22(33)11-23(34)9-20/h5-15,18,22,31,44H,16-17H2,1-4H3;5-14,20,23,29H,15-17H2,1-4H3;5-13,19,24,29H,14-16H2,1-4H3/t22-,31-;20-,29-;19-,29-/m000/s1.

What are the key properties of (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one?

(4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 1855.91 g/mol, XLogP of 20.23, 22 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-(3,5-difluorophenyl)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-(hydroxymethyl)-3-pyridinyl]-2-imidazol-1-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[5-[5-(2,4-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-4-methyl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158652234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).