5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C28H32F6N4O3 — CID 123806708

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 123806708) has the molecular formula C28H32F6N4O3 and a molecular weight of 586.58 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 123806708
• Molecular Formula: C28H32F6N4O3
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.24
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: CC(C)=C(C)c1cnc(N2CC(C)OC(C)C2)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)n1
• InChI: InChI=1S/C28H32F6N4O3/c1-14(2)17(5)22-10-35-25(37-11-15(3)40-16(4)12-37)23(36-22)13-38-18(6)24(41-26(38)39)19-7-20(27(29,30)31)9-21(8-19)28(32,33)34/h7-10,15-16,18,24H,11-13H2,1-6H3
• InChIKey: NYOVRFAGCQFPLJ-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 123806708) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is CC(C)=C(C)c1cnc(N2CC(C)OC(C)C2)c(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)n1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is NYOVRFAGCQFPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F6N4O3/c1-14(2)17(5)22-10-35-25(37-11-15(3)40-16(4)12-37)23(36-22)13-38-18(6)24(41-26(38)39)19-7-20(27(29,30)31)9-21(8-19)28(32,33)34/h7-10,15-16,18,24H,11-13H2,1-6H3.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 586.58 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-(2,6-dimethylmorpholin-4-yl)-6-(3-methylbut-2-en-2-yl)pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123806708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).