(4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one

C20H17F6NO3 — CID 10274469

About (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10274469) has the molecular formula C20H17F6NO3 and a molecular weight of 433.35 g/mol. Its IUPAC name is (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10274469
• Molecular Formula: C20H17F6NO3
• Molecular Weight: 433.35 g/mol
• Exact Mass: 433.11
• IUPAC Name: (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@@H](OC[C@@]1(c2ccccc2)COC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C20H17F6NO3/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)29-10-18(11-30-17(28)27-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,27,28)/t12-,18+/m1/s1
• InChIKey: DSWHURYDDZMUFF-XIKOKIGWSA-N
• XLogP: 5.44
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.35
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10274469) is (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](OC[C@@]1(c2ccccc2)COC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is DSWHURYDDZMUFF-XIKOKIGWSA-N. The full InChI is InChI=1S/C20H17F6NO3/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)29-10-18(11-30-17(28)27-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,27,28)/t12-,18+/m1/s1.

What are the key properties of (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 433.35 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).