(4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C110H146Cl2F9N7O14 — CID 160787780

About (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 160787780) has the molecular formula C110H146Cl2F9N7O14 and a molecular weight of 2032.30 g/mol. Its IUPAC name is (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 160787780
• Molecular Formula: C110H146Cl2F9N7O14
• Molecular Weight: 2032.30 g/mol
• Exact Mass: 2030.02
• IUPAC Name: (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: CC[C@@H]1[C@@H](c2cc(C)cc(C(F)(F)F)c2)OC(=O)N1C(C)(C)C.CC[C@H]1[C@@H](c2cc(C)cc(C(F)(F)F)c2)OC(=O)N1C(C)(C)C.Cc1cc(Cl)cc([C@@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)c1.Cc1cc(Cl)cc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)c1.Cc1cc([C@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc(C(F)(F)F)c1.Cc1ccc([C@@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc1.Cc1ccc([C@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc1
• InChI: InChI=1S/2C17H22F3NO2.C16H20F3NO2.2C15H20ClNO2.2C15H21NO2/c2*1-6-13-14(23-15(22)21(13)16(3,4)5)11-7-10(2)8-12(9-11)17(18,19)20;1-9-6-11(8-12(7-9)16(17,18)19)13-10(2)20(14(21)22-13)15(3,4)5;2*1-9-6-11(8-12(16)7-9)13-10(2)17(14(18)19-13)15(3,4)5;2*1-10-6-8-12(9-7-10)13-11(2)16(14(17)18-13)15(3,4)5/h2*7-9,13-14H,6H2,1-5H3;6-8,10,13H,1-5H3;2*6-8,10,13H,1-5H3;2*6-9,11,13H,1-5H3/t13-,14+;13-,14-;10-,13+;2*10-,13-;11-,13+;11-,13-/m0111011/s1
• InChIKey: SBKYRDVHBCWURL-QYGNVZERSA-N
• XLogP: 30.87
• TPSA: 206.78 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.30
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 160787780) is (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC[C@@H]1[C@@H](c2cc(C)cc(C(F)(F)F)c2)OC(=O)N1C(C)(C)C.CC[C@H]1[C@@H](c2cc(C)cc(C(F)(F)F)c2)OC(=O)N1C(C)(C)C.Cc1cc(Cl)cc([C@@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)c1.Cc1cc(Cl)cc([C@H]2OC(=O)N(C(C)(C)C)[C@H]2C)c1.Cc1cc([C@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc(C(F)(F)F)c1.Cc1ccc([C@@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc1.Cc1ccc([C@H]2OC(=O)N(C(C)(C)C)[C@@H]2C)cc1.

What is the InChIKey of (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is SBKYRDVHBCWURL-QYGNVZERSA-N. The full InChI is InChI=1S/2C17H22F3NO2.C16H20F3NO2.2C15H20ClNO2.2C15H21NO2/c2*1-6-13-14(23-15(22)21(13)16(3,4)5)11-7-10(2)8-12(9-11)17(18,19)20;1-9-6-11(8-12(7-9)16(17,18)19)13-10(2)20(14(21)22-13)15(3,4)5;2*1-9-6-11(8-12(16)7-9)13-10(2)17(14(18)19-13)15(3,4)5;2*1-10-6-8-12(9-7-10)13-11(2)16(14(17)18-13)15(3,4)5/h2*7-9,13-14H,6H2,1-5H3;6-8,10,13H,1-5H3;2*6-8,10,13H,1-5H3;2*6-9,11,13H,1-5H3/t13-,14+;13-,14-;10-,13+;2*10-,13-;11-,13+;11-,13-/m0111011/s1.

What are the key properties of (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

(4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 2032.30 g/mol, XLogP of 30.87, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-5-(3-chloro-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-tert-butyl-4-ethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4R,5S)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-(4-methylphenyl)-1,3-oxazolidin-2-one;(4R,5R)-3-tert-butyl-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 160787780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).