4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C23H23F3N6O3 — CID 154960667

About 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960667) has the molecular formula C23H23F3N6O3 and a molecular weight of 488.47 g/mol. Its IUPAC name is 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 154960667
• Molecular Formula: C23H23F3N6O3
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.18
• IUPAC Name: 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: CCC1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(Oc3cccnc3C(F)(F)F)cc2)n1
• InChI: InChI=1S/C23H23F3N6O3/c1-4-16-12-34-22(33)32(16)21-30-14(3)29-20(31-21)28-13(2)15-7-9-17(10-8-15)35-18-6-5-11-27-19(18)23(24,25)26/h5-11,13,16H,4,12H2,1-3H3,(H,28,29,30,31)/t13-,16?/m1/s1
• InChIKey: UWSXIEPESCDFML-JBZHPUCOSA-N
• XLogP: 5.29
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960667) is 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CCC1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(Oc3cccnc3C(F)(F)F)cc2)n1.

What is the InChIKey of 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is UWSXIEPESCDFML-JBZHPUCOSA-N. The full InChI is InChI=1S/C23H23F3N6O3/c1-4-16-12-34-22(33)32(16)21-30-14(3)29-20(31-21)28-13(2)15-7-9-17(10-8-15)35-18-6-5-11-27-19(18)23(24,25)26/h5-11,13,16H,4,12H2,1-3H3,(H,28,29,30,31)/t13-,16?/m1/s1.

What are the key properties of 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 488.47 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-3-[4-methyl-6-[[(1R)-1-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).