[4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride

C47H53ClF4N4O10 — CID 157332605

About [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride

[4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride (PubChem CID 157332605) has the molecular formula C47H53ClF4N4O10 and a molecular weight of 945.40 g/mol. Its IUPAC name is [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride.

Molecular Properties

• Compound Name: [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride
• PubChem CID: 157332605
• Molecular Formula: C47H53ClF4N4O10
• Molecular Weight: 945.40 g/mol
• Exact Mass: 944.34
• IUPAC Name: [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride
• SMILES: COC(=O)[C@H]1CN(c2ccc(-c3ccc(CN(CCCF)C(=O)OC(C)(C)C)cc3)c(F)c2)C(=O)O1.COC(=O)[C@H]1CN(c2ccc(-c3ccc(C[NH2+]CCCF)cc3)c(F)c2)C(=O)O1.[Cl-]
• InChI: InChI=1S/C26H30F2N2O6.C21H22F2N2O4.ClH/c1-26(2,3)36-24(32)29(13-5-12-27)15-17-6-8-18(9-7-17)20-11-10-19(14-21(20)28)30-16-22(23(31)34-4)35-25(30)33;1-28-20(26)19-13-25(21(27)29-19)16-7-8-17(18(23)11-16)15-5-3-14(4-6-15)12-24-10-2-9-22;/h6-11,14,22H,5,12-13,15-16H2,1-4H3;3-8,11,19,24H,2,9-10,12-13H2,1H3;1H/t22-;19-;/m11./s1
• InChIKey: QYMQBIHXMRHWAC-QOBQULDLSA-N
• XLogP: 4.51
• TPSA: 157.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	945.40
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride?

The IUPAC name of [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride (CID 157332605) is [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride.

What is the SMILES notation for [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride?

The canonical SMILES for [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride is COC(=O)[C@H]1CN(c2ccc(-c3ccc(CN(CCCF)C(=O)OC(C)(C)C)cc3)c(F)c2)C(=O)O1.COC(=O)[C@H]1CN(c2ccc(-c3ccc(C[NH2+]CCCF)cc3)c(F)c2)C(=O)O1.[Cl-].

What is the InChIKey of [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride?

The InChIKey is QYMQBIHXMRHWAC-QOBQULDLSA-N. The full InChI is InChI=1S/C26H30F2N2O6.C21H22F2N2O4.ClH/c1-26(2,3)36-24(32)29(13-5-12-27)15-17-6-8-18(9-7-17)20-11-10-19(14-21(20)28)30-16-22(23(31)34-4)35-25(30)33;1-28-20(26)19-13-25(21(27)29-19)16-7-8-17(18(23)11-16)15-5-3-14(4-6-15)12-24-10-2-9-22;/h6-11,14,22H,5,12-13,15-16H2,1-4H3;3-8,11,19,24H,2,9-10,12-13H2,1H3;1H/t22-;19-;/m11./s1.

What are the key properties of [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride?

[4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride has a molecular weight of 945.40 g/mol, XLogP of 4.51, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-fluoro-4-[(5R)-5-methoxycarbonyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl-(3-fluoropropyl)azanium;methyl (5R)-3-[3-fluoro-4-[4-[[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidine-5-carboxylate;chloride is sourced from PubChem (CID 157332605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).