(4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C23H26F5N3O4 — CID 159207635

About (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 159207635) has the molecular formula C23H26F5N3O4 and a molecular weight of 503.47 g/mol. Its IUPAC name is (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 159207635
• Molecular Formula: C23H26F5N3O4
• Molecular Weight: 503.47 g/mol
• Exact Mass: 503.18
• IUPAC Name: (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C23H26F5N3O4/c1-12(14-6-7-18(15(24)9-14)35-23(26,27)28)8-19-29-10-16(25)20(30-19)31-17(11-33-21(31)32)13(2)34-22(3,4)5/h6-7,9-10,12-13,17H,8,11H2,1-5H3/t12-,13-,17-/m1/s1
• InChIKey: KQBUQIDJXXFHAH-PBFPGSCMSA-N
• XLogP: 5.53
• TPSA: 73.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.47
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 159207635) is (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is KQBUQIDJXXFHAH-PBFPGSCMSA-N. The full InChI is InChI=1S/C23H26F5N3O4/c1-12(14-6-7-18(15(24)9-14)35-23(26,27)28)8-19-29-10-16(25)20(30-19)31-17(11-33-21(31)32)13(2)34-22(3,4)5/h6-7,9-10,12-13,17H,8,11H2,1-5H3/t12-,13-,17-/m1/s1.

What are the key properties of (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

(4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 503.47 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159207635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).