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

C30H26F9NO3 — CID 59135083

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

(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59135083) has the molecular formula C30H26F9NO3 and a molecular weight of 619.52 g/mol. Its IUPAC name is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-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-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 59135083
• Molecular Formula: C30H26F9NO3
• Molecular Weight: 619.52 g/mol
• Exact Mass: 619.18
• IUPAC Name: (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C30H26F9NO3/c1-15(2)18-5-8-25(42-4)23(11-18)22-7-6-19(28(31,32)33)13-24(22)26-16(3)40(27(41)43-26)14-17-9-20(29(34,35)36)12-21(10-17)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26+/m1/s1
• InChIKey: HQPDSLFSHOUDRH-DXPJPUQTSA-N
• XLogP: 9.62
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.52
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-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-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 59135083) is (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-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-(2-methoxy-5-propan-2-ylphenyl)-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-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.

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

The InChIKey is HQPDSLFSHOUDRH-DXPJPUQTSA-N. The full InChI is InChI=1S/C30H26F9NO3/c1-15(2)18-5-8-25(42-4)23(11-18)22-7-6-19(28(31,32)33)13-24(22)26-16(3)40(27(41)43-26)14-17-9-20(29(34,35)36)12-21(10-17)30(37,38)39/h5-13,15-16,26H,14H2,1-4H3/t16-,26+/m1/s1.

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

(4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 619.52 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).