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

C30H24F10N2O4 — CID 59135247

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

(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135247) has the molecular formula C30H24F10N2O4 and a molecular weight of 666.51 g/mol. Its IUPAC name is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 59135247
• Molecular Formula: C30H24F10N2O4
• Molecular Weight: 666.51 g/mol
• Exact Mass: 666.16
• IUPAC Name: (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: Cc1cc(F)c(C(C)C)cc1-c1c([C@H]2OC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)cc(C(F)(F)F)cc1[N+](=O)[O-]
• InChI: InChI=1S/C30H24F10N2O4/c1-13(2)20-11-21(14(3)5-23(20)31)25-22(9-19(30(38,39)40)10-24(25)42(44)45)26-15(4)41(27(43)46-26)12-16-6-17(28(32,33)34)8-18(7-16)29(35,36)37/h5-11,13,15,26H,12H2,1-4H3/t15-,26+/m1/s1
• InChIKey: CUZYEXYWNPDHGK-WZQKQDCOSA-N
• XLogP: 9.97
• TPSA: 72.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.51
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 59135247) is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cc(F)c(C(C)C)cc1-c1c([C@H]2OC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)cc(C(F)(F)F)cc1[N+](=O)[O-].

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

The InChIKey is CUZYEXYWNPDHGK-WZQKQDCOSA-N. The full InChI is InChI=1S/C30H24F10N2O4/c1-13(2)20-11-21(14(3)5-23(20)31)25-22(9-19(30(38,39)40)10-24(25)42(44)45)26-15(4)41(27(43)46-26)12-16-6-17(28(32,33)34)8-18(7-16)29(35,36)37/h5-11,13,15,26H,12H2,1-4H3/t15-,26+/m1/s1.

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

(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 666.51 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-3-nitro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).