(4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C23H28F3N3O4 — CID 148525945

About (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 148525945) has the molecular formula C23H28F3N3O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 148525945
• Molecular Formula: C23H28F3N3O4
• Molecular Weight: 467.49 g/mol
• Exact Mass: 467.20
• IUPAC Name: (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Cc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(OC(F)F)c(F)c1
• InChI: InChI=1S/C23H28F3N3O4/c1-13(15-6-7-18(16(24)11-15)32-21(25)26)10-19-27-9-8-20(28-19)29-17(12-31-22(29)30)14(2)33-23(3,4)5/h6-9,11,13-14,17,21H,10,12H2,1-5H3/t13-,14-,17-/m1/s1
• InChIKey: MPIOECVCFIUHLX-CKEIUWERSA-N
• XLogP: 5.09
• TPSA: 73.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.49
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 148525945) is (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]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-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Cc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(OC(F)F)c(F)c1.

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

The InChIKey is MPIOECVCFIUHLX-CKEIUWERSA-N. The full InChI is InChI=1S/C23H28F3N3O4/c1-13(15-6-7-18(16(24)11-15)32-21(25)26)10-19-27-9-8-20(28-19)29-17(12-31-22(29)30)14(2)33-23(3,4)5/h6-9,11,13-14,17,21H,10,12H2,1-5H3/t13-,14-,17-/m1/s1.

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

(4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 467.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 148525945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).