[2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

C24H21F7N4O5 — CID 171507437

About [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

[2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 171507437) has the molecular formula C24H21F7N4O5 and a molecular weight of 578.44 g/mol. Its IUPAC name is [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

• Compound Name: [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
• PubChem CID: 171507437
• Molecular Formula: C24H21F7N4O5
• Molecular Weight: 578.44 g/mol
• Exact Mass: 578.14
• IUPAC Name: [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
• SMILES: CN1CC(CN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3OC(=O)N(C)c3ccc(F)cc3)C2=O)OC1=O
• InChI: InChI=1S/C24H21F7N4O5/c1-32-11-16(39-21(32)37)12-34-7-8-35(20(34)36)18-10-13(23(26,27)28)9-17(24(29,30)31)19(18)40-22(38)33(2)15-5-3-14(25)4-6-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3
• InChIKey: AMMVNTBHBKKDPG-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 82.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.44
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The IUPAC name of [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 171507437) is [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

What is the SMILES notation for [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The canonical SMILES for [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CN1CC(CN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3OC(=O)N(C)c3ccc(F)cc3)C2=O)OC1=O.

What is the InChIKey of [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The InChIKey is AMMVNTBHBKKDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F7N4O5/c1-32-11-16(39-21(32)37)12-34-7-8-35(20(34)36)18-10-13(23(26,27)28)9-17(24(29,30)31)19(18)40-22(38)33(2)15-5-3-14(25)4-6-15/h3-6,9-10,16H,7-8,11-12H2,1-2H3.

What are the key properties of [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

[2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 578.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 171507437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).