(4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C30H31F4NO2 — CID 58423061

About (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58423061) has the molecular formula C30H31F4NO2 and a molecular weight of 513.58 g/mol. Its IUPAC name is (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 58423061
• Molecular Formula: C30H31F4NO2
• Molecular Weight: 513.58 g/mol
• Exact Mass: 513.23
• IUPAC Name: (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cc(C(C)C)c(F)cc3C)[C@H]2C)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H31F4NO2/c1-16(2)25-14-26(19(5)12-27(25)31)24-8-7-17(3)9-22(24)15-35-20(6)28(37-29(35)36)21-10-18(4)11-23(13-21)30(32,33)34/h7-14,16,20,28H,15H2,1-6H3/t20-,28-/m0/s1
• InChIKey: UYYGCFGLQKPLFO-MMTVBGGISA-N
• XLogP: 8.64
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.58
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 58423061) is (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cc(C(C)C)c(F)cc3C)[C@H]2C)cc(C(F)(F)F)c1.

What is the InChIKey of (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is UYYGCFGLQKPLFO-MMTVBGGISA-N. The full InChI is InChI=1S/C30H31F4NO2/c1-16(2)25-14-26(19(5)12-27(25)31)24-8-7-17(3)9-22(24)15-35-20(6)28(37-29(35)36)21-10-18(4)11-23(13-21)30(32,33)34/h7-14,16,20,28H,15H2,1-6H3/t20-,28-/m0/s1.

What are the key properties of (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

(4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 513.58 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58423061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).