[2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate

C25H23F4N5O7S — CID 157371742

About [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate

[2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate (PubChem CID 157371742) has the molecular formula C25H23F4N5O7S and a molecular weight of 613.55 g/mol. Its IUPAC name is [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
• PubChem CID: 157371742
• Molecular Formula: C25H23F4N5O7S
• Molecular Weight: 613.55 g/mol
• Exact Mass: 613.13
• IUPAC Name: [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nc(COC(=O)C[NH3+])cs4)nc3)c(F)c2)C(=O)O1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C23H22FN5O5S.C2HF3O2/c1-13(30)26-9-17-10-29(23(32)34-17)16-3-4-18(19(24)6-16)14-2-5-20(27-8-14)22-28-15(12-35-22)11-33-21(31)7-25;3-2(4,5)1(6)7/h2-6,8,12,17H,7,9-11,25H2,1H3,(H,26,30);(H,6,7)/t17-;/m0./s1
• InChIKey: DEUMCALFJKKDSM-LMOVPXPDSA-N
• XLogP: 1.06
• TPSA: 178.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.55
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?

The IUPAC name of [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate (CID 157371742) is [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate.

What is the SMILES notation for [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?

The canonical SMILES for [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nc(COC(=O)C[NH3+])cs4)nc3)c(F)c2)C(=O)O1.O=C([O-])C(F)(F)F.

What is the InChIKey of [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?

The InChIKey is DEUMCALFJKKDSM-LMOVPXPDSA-N. The full InChI is InChI=1S/C23H22FN5O5S.C2HF3O2/c1-13(30)26-9-17-10-29(23(32)34-17)16-3-4-18(19(24)6-16)14-2-5-20(27-8-14)22-28-15(12-35-22)11-33-21(31)7-25;3-2(4,5)1(6)7/h2-6,8,12,17H,7,9-11,25H2,1H3,(H,26,30);(H,6,7)/t17-;/m0./s1.

What are the key properties of [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate?

[2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate has a molecular weight of 613.55 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,3-thiazol-4-yl]methoxy]-2-oxoethyl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 157371742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).