(5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane

C33H36ClF3N4O6 — CID 143191225

About (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane

(5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane (PubChem CID 143191225) has the molecular formula C33H36ClF3N4O6 and a molecular weight of 677.12 g/mol. Its IUPAC name is (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane.

Molecular Properties

• Compound Name: (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane
• PubChem CID: 143191225
• Molecular Formula: C33H36ClF3N4O6
• Molecular Weight: 677.12 g/mol
• Exact Mass: 676.23
• IUPAC Name: (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane
• SMILES: CC.CC.CC.Cc1ccc2c(-n3c(=O)n(Cc4cc([C@]5(C)OC(=O)NC5=O)ccc4Cl)c4ccc(OC(F)(F)F)cc43)noc2c1
• InChI: InChI=1S/C27H18ClF3N4O6.3C2H6/c1-13-3-6-17-21(9-13)41-33-22(17)35-20-11-16(39-27(29,30)31)5-8-19(20)34(25(35)38)12-14-10-15(4-7-18(14)28)26(2)23(36)32-24(37)40-26;3*1-2/h3-11H,12H2,1-2H3,(H,32,36,37);3*1-2H3/t26-;;;/m0.../s1
• InChIKey: QDLXONLVHGWGFI-DOTPTTDOSA-N
• XLogP: 8.40
• TPSA: 117.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.12
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane?

The IUPAC name of (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane (CID 143191225) is (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane.

What is the SMILES notation for (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane?

The canonical SMILES for (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane is CC.CC.CC.Cc1ccc2c(-n3c(=O)n(Cc4cc([C@]5(C)OC(=O)NC5=O)ccc4Cl)c4ccc(OC(F)(F)F)cc43)noc2c1.

What is the InChIKey of (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane?

The InChIKey is QDLXONLVHGWGFI-DOTPTTDOSA-N. The full InChI is InChI=1S/C27H18ClF3N4O6.3C2H6/c1-13-3-6-17-21(9-13)41-33-22(17)35-20-11-16(39-27(29,30)31)5-8-19(20)34(25(35)38)12-14-10-15(4-7-18(14)28)26(2)23(36)32-24(37)40-26;3*1-2/h3-11H,12H2,1-2H3,(H,32,36,37);3*1-2H3/t26-;;;/m0.../s1.

What are the key properties of (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane?

(5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane has a molecular weight of 677.12 g/mol, XLogP of 8.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[4-chloro-3-[[3-(6-methyl-1,2-benzoxazol-3-yl)-2-oxo-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]phenyl]-5-methyl-1,3-oxazolidine-2,4-dione;ethane is sourced from PubChem (CID 143191225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).