3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid

C100H97F14N13O15 — CID 159096368

About 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid

3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid (PubChem CID 159096368) has the molecular formula C100H97F14N13O15 and a molecular weight of 1986.92 g/mol. Its IUPAC name is 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid
• PubChem CID: 159096368
• Molecular Formula: C100H97F14N13O15
• Molecular Weight: 1986.92 g/mol
• Exact Mass: 1985.70
• IUPAC Name: 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid
• SMILES: COc1cc(F)c(-c2cnc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(C2CC(C(=O)O)C2)cc1-c1c(C)nc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(C2CC(C(=O)O)C2)cc1-c1c(C)nc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C34H29F6N5O5.C33H33F5N4O5.C33H35F3N4O5/c1-16-5-19(8-20(6-16)34(38,39)40)29-18(3)45(32(48)50-29)13-27-24(12-42-31(43-27)44-14-33(36,37)15-44)22-9-21(25(35)10-28(22)49-4)23-11-41-26(30(46)47)7-17(23)2;1-16-7-21(11-23(8-16)33(36,37)38)28-18(3)42(31(45)47-28)13-25-27(17(2)39-30(40-25)41-14-32(34,35)15-41)24-12-19(5-6-26(24)46-4)20-9-22(10-20)29(43)44;1-17-10-22(14-24(11-17)33(34,35)36)29-19(3)40(32(43)45-29)16-26-28(18(2)37-31(38-26)39-8-5-9-39)25-15-20(6-7-27(25)44-4)21-12-23(13-21)30(41)42/h5-12,18,29H,13-15H2,1-4H3,(H,46,47);5-8,11-12,18,20,22,28H,9-10,13-15H2,1-4H3,(H,43,44);6-7,10-11,14-15,19,21,23,29H,5,8-9,12-13,16H2,1-4H3,(H,41,42)/t18-,29-;18-,20?,22?,28-;19-,21?,23?,29-/m000/s1
• InChIKey: KCSJOVLPORAQOQ-KOCMPJORSA-N
• XLogP: 20.79
• TPSA: 328.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.92
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid?

The IUPAC name of 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid (CID 159096368) is 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid.

What is the SMILES notation for 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid?

The canonical SMILES for 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid is COc1cc(F)c(-c2cnc(C(=O)O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(C2CC(C(=O)O)C2)cc1-c1c(C)nc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(C2CC(C(=O)O)C2)cc1-c1c(C)nc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid?

The InChIKey is KCSJOVLPORAQOQ-KOCMPJORSA-N. The full InChI is InChI=1S/C34H29F6N5O5.C33H33F5N4O5.C33H35F3N4O5/c1-16-5-19(8-20(6-16)34(38,39)40)29-18(3)45(32(48)50-29)13-27-24(12-42-31(43-27)44-14-33(36,37)15-44)22-9-21(25(35)10-28(22)49-4)23-11-41-26(30(46)47)7-17(23)2;1-16-7-21(11-23(8-16)33(36,37)38)28-18(3)42(31(45)47-28)13-25-27(17(2)39-30(40-25)41-14-32(34,35)15-41)24-12-19(5-6-26(24)46-4)20-9-22(10-20)29(43)44;1-17-10-22(14-24(11-17)33(34,35)36)29-19(3)40(32(43)45-29)16-26-28(18(2)37-31(38-26)39-8-5-9-39)25-15-20(6-7-27(25)44-4)21-12-23(13-21)30(41)42/h5-12,18,29H,13-15H2,1-4H3,(H,46,47);5-8,11-12,18,20,22,28H,9-10,13-15H2,1-4H3,(H,43,44);6-7,10-11,14-15,19,21,23,29H,5,8-9,12-13,16H2,1-4H3,(H,41,42)/t18-,29-;18-,20?,22?,28-;19-,21?,23?,29-/m000/s1.

What are the key properties of 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid?

3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid has a molecular weight of 1986.92 g/mol, XLogP of 20.79, 24 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(azetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;3-[3-[2-(3,3-difluoroazetidin-1-yl)-4-methyl-6-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid;5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 159096368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).