4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid

C106H93F9N14O16 — CID 159322365

About 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid

4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid (PubChem CID 159322365) has the molecular formula C106H93F9N14O16 and a molecular weight of 1989.97 g/mol. Its IUPAC name is 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid.

Molecular Properties

• Compound Name: 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid
• PubChem CID: 159322365
• Molecular Formula: C106H93F9N14O16
• Molecular Weight: 1989.97 g/mol
• Exact Mass: 1988.68
• IUPAC Name: 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid
• SMILES: COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2cnc(C)c2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CCC2=O)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C36H32F3N5O5.C35H30F3N5O5.C35H31F3N4O6/c1-19-10-25(13-26(11-19)36(37,38)39)32-22(4)44(35(47)49-32)17-30-29(15-40-34(42-30)43-16-21(3)41-18-43)28-14-23(7-9-31(28)48-5)27-8-6-24(33(45)46)12-20(27)2;1-19-11-24(14-25(12-19)35(36,37)38)31-21(3)43(34(46)48-31)17-29-28(16-40-33(41-29)42-10-9-39-18-42)27-15-22(6-8-30(27)47-4)26-7-5-23(32(44)45)13-20(26)2;1-18-11-23(14-24(12-18)35(36,37)38)31-20(3)42(34(46)48-31)17-28-27(16-39-33(40-28)41-10-9-30(41)43)26-15-21(6-8-29(26)47-4)25-7-5-22(32(44)45)13-19(25)2/h6-16,18,22,32H,17H2,1-5H3,(H,45,46);5-16,18,21,31H,17H2,1-4H3,(H,44,45);5-8,11-16,20,31H,9-10,17H2,1-4H3,(H,44,45)/t22-,32-;21-,31-;20-,31-/m000/s1
• InChIKey: LDXTUODRCJDGEB-IWAMXUGLSA-N
• XLogP: 22.12
• TPSA: 361.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1989.97
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	3
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 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid?

The IUPAC name of 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid (CID 159322365) is 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid.

What is the SMILES notation for 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid?

The canonical SMILES for 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2cnc(C)c2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N2CCC2=O)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid?

The InChIKey is LDXTUODRCJDGEB-IWAMXUGLSA-N. The full InChI is InChI=1S/C36H32F3N5O5.C35H30F3N5O5.C35H31F3N4O6/c1-19-10-25(13-26(11-19)36(37,38)39)32-22(4)44(35(47)49-32)17-30-29(15-40-34(42-30)43-16-21(3)41-18-43)28-14-23(7-9-31(28)48-5)27-8-6-24(33(45)46)12-20(27)2;1-19-11-24(14-25(12-19)35(36,37)38)31-21(3)43(34(46)48-31)17-29-28(16-40-33(41-29)42-10-9-39-18-42)27-15-22(6-8-30(27)47-4)26-7-5-23(32(44)45)13-20(26)2;1-18-11-23(14-24(12-18)35(36,37)38)31-20(3)42(34(46)48-31)17-28-27(16-39-33(40-28)41-10-9-30(41)43)26-15-21(6-8-29(26)47-4)25-7-5-22(32(44)45)13-19(25)2/h6-16,18,22,32H,17H2,1-5H3,(H,45,46);5-16,18,21,31H,17H2,1-4H3,(H,44,45);5-8,11-16,20,31H,9-10,17H2,1-4H3,(H,44,45)/t22-,32-;21-,31-;20-,31-/m000/s1.

What are the key properties of 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid?

4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid has a molecular weight of 1989.97 g/mol, XLogP of 22.12, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-imidazol-1-yl-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[2-(4-methylimidazol-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]phenyl]-3-methylbenzoic acid;4-[4-methoxy-3-[4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-oxoazetidin-1-yl)pyrimidin-5-yl]phenyl]-3-methylbenzoic acid is sourced from PubChem (CID 159322365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).