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

C26H23F7N2O2 — CID 59135255

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

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 59135255) has the molecular formula C26H23F7N2O2 and a molecular weight of 528.47 g/mol. Its IUPAC name is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 59135255
• Molecular Formula: C26H23F7N2O2
• Molecular Weight: 528.47 g/mol
• Exact Mass: 528.16
• IUPAC Name: (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)n1ccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]2C)c1
• InChI: InChI=1S/C26H23F7N2O2/c1-14(2)34-7-6-16(12-34)22-5-4-19(25(28,29)30)9-18(22)13-35-15(3)23(37-24(35)36)17-8-20(26(31,32)33)11-21(27)10-17/h4-12,14-15,23H,13H2,1-3H3/t15-,23-/m0/s1
• InChIKey: UEPAGCNYHMUAJM-WNSKOXEYSA-N
• XLogP: 7.99
• TPSA: 34.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.47
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 59135255) is (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is CC(C)n1ccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)O[C@H](c3cc(F)cc(C(F)(F)F)c3)[C@@H]2C)c1.

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

The InChIKey is UEPAGCNYHMUAJM-WNSKOXEYSA-N. The full InChI is InChI=1S/C26H23F7N2O2/c1-14(2)34-7-6-16(12-34)22-5-4-19(25(28,29)30)9-18(22)13-35-15(3)23(37-24(35)36)17-8-20(26(31,32)33)11-21(27)10-17/h4-12,14-15,23H,13H2,1-3H3/t15-,23-/m0/s1.

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

(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 528.47 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(1-propan-2-ylpyrrol-3-yl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).