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

C24H28F2N6O5 — CID 90414224

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

3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90414224) has the molecular formula C24H28F2N6O5 and a molecular weight of 518.52 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 90414224
• Molecular Formula: C24H28F2N6O5
• Molecular Weight: 518.52 g/mol
• Exact Mass: 518.21
• IUPAC Name: 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)OC(C)(C)C)n1)c1nc(-c2cccc(OC(F)F)c2)no1
• InChI: InChI=1S/C24H28F2N6O5/c1-13(20-30-19(31-37-20)15-7-6-8-16(11-15)35-21(25)26)28-22-27-10-9-18(29-22)32-17(12-34-23(32)33)14(2)36-24(3,4)5/h6-11,13-14,17,21H,12H2,1-5H3,(H,27,28,29)/t13-,14+,17?/m0/s1
• InChIKey: WUWWEYNLARSBOT-RFOFMGPBSA-N
• XLogP: 4.83
• TPSA: 124.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.52
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90414224) is 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OCC2[C@@H](C)OC(C)(C)C)n1)c1nc(-c2cccc(OC(F)F)c2)no1.

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

The InChIKey is WUWWEYNLARSBOT-RFOFMGPBSA-N. The full InChI is InChI=1S/C24H28F2N6O5/c1-13(20-30-19(31-37-20)15-7-6-8-16(11-15)35-21(25)26)28-22-27-10-9-18(29-22)32-17(12-34-23(32)33)14(2)36-24(3,4)5/h6-11,13-14,17,21H,12H2,1-5H3,(H,27,28,29)/t13-,14+,17?/m0/s1.

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

3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 518.52 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1S)-1-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90414224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).