[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid

C25H25F4N5O8 — CID 11215545

About [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (PubChem CID 11215545) has the molecular formula C25H25F4N5O8 and a molecular weight of 599.49 g/mol. Its IUPAC name is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
• PubChem CID: 11215545
• Molecular Formula: C25H25F4N5O8
• Molecular Weight: 599.49 g/mol
• Exact Mass: 599.16
• IUPAC Name: [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(COC(=O)CN)C4)nc3)c(F)c2)C(=O)O1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H24FN5O6.C2HF3O2/c1-13(30)26-10-17-11-29(23(32)34-17)15-3-4-18(19(24)6-15)14-2-5-20(27-9-14)21-7-16(35-28-21)12-33-22(31)8-25;3-2(4,5)1(6)7/h2-6,9,16-17H,7-8,10-12,25H2,1H3,(H,26,30);(H,6,7)/t16?,17-;/m0./s1
• InChIKey: XWQGYGXIWGMHIK-KRNWZFANSA-N
• XLogP: 1.98
• TPSA: 182.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.49
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?

The IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid (CID 11215545) is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?

The canonical SMILES for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(COC(=O)CN)C4)nc3)c(F)c2)C(=O)O1.O=C(O)C(F)(F)F.

What is the InChIKey of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?

The InChIKey is XWQGYGXIWGMHIK-KRNWZFANSA-N. The full InChI is InChI=1S/C23H24FN5O6.C2HF3O2/c1-13(30)26-10-17-11-29(23(32)34-17)15-3-4-18(19(24)6-15)14-2-5-20(27-9-14)21-7-16(35-28-21)12-33-22(31)8-25;3-2(4,5)1(6)7/h2-6,9,16-17H,7-8,10-12,25H2,1H3,(H,26,30);(H,6,7)/t16?,17-;/m0./s1.

What are the key properties of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid?

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid has a molecular weight of 599.49 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 2-aminoacetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11215545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).