(4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C22H27F3N4O4 — CID 90414212

About (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90414212) has the molecular formula C22H27F3N4O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90414212
• Molecular Formula: C22H27F3N4O4
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.20
• IUPAC Name: (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1cccc(OC(F)F)c1
• InChI: InChI=1S/C22H27F3N4O4/c1-12(14-7-6-8-15(9-14)32-19(24)25)27-20-26-10-16(23)18(28-20)29-17(11-31-21(29)30)13(2)33-22(3,4)5/h6-10,12-13,17,19H,11H2,1-5H3,(H,26,27,28)/t12-,13+,17+/m0/s1
• InChIKey: JAZHPGBDPZQRMB-OGHNNQOOSA-N
• XLogP: 4.92
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90414212) is (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-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-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1cccc(OC(F)F)c1.

What is the InChIKey of (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is JAZHPGBDPZQRMB-OGHNNQOOSA-N. The full InChI is InChI=1S/C22H27F3N4O4/c1-12(14-7-6-8-15(9-14)32-19(24)25)27-20-26-10-16(23)18(28-20)29-17(11-31-21(29)30)13(2)33-22(3,4)5/h6-10,12-13,17,19H,11H2,1-5H3,(H,26,27,28)/t12-,13+,17+/m0/s1.

What are the key properties of (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 468.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90414212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).