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

C27H39N3O4 — CID 149274141

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

(4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 149274141) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is (4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)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-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 149274141
• Molecular Formula: C27H39N3O4
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.29
• IUPAC Name: (4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc([C@H](C)Cc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)OC(C)(C)C)n2)ccc1OCC(C)C
• InChI: InChI=1S/C27H39N3O4/c1-17(2)15-32-23-10-9-21(13-19(23)4)18(3)14-24-28-12-11-25(29-24)30-22(16-33-26(30)31)20(5)34-27(6,7)8/h9-13,17-18,20,22H,14-16H2,1-8H3/t18-,20-,22-/m1/s1
• InChIKey: XRQVULJLZVPTCP-SYYKKAFVSA-N
• XLogP: 5.69
• TPSA: 73.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)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-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 149274141) is (4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)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-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)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-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is Cc1cc([C@H](C)Cc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)OC(C)(C)C)n2)ccc1OCC(C)C.

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

The InChIKey is XRQVULJLZVPTCP-SYYKKAFVSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-17(2)15-32-23-10-9-21(13-19(23)4)18(3)14-24-28-12-11-25(29-24)30-22(16-33-26(30)31)20(5)34-27(6,7)8/h9-13,17-18,20,22H,14-16H2,1-8H3/t18-,20-,22-/m1/s1.

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

(4R)-3-[2-[(2R)-2-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 469.63 g/mol, XLogP of 5.69, 9 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-[3-methyl-4-(2-methylpropoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 149274141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).