[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

C24H22F2N2O8 — CID 10255545

IUPAC[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](COC(C)=O)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C24H22F2N2O8/c1-13(29)33-11-17-9-27(23(31)35-17)15-3-5-19(21(25)7-15)20-6-4-16(8-22(20)26)28-10-18(36-24(28)32)12-34-14(2)30/h3-8,17-18H,9-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyAUCWOEVMGVXKRW-QZTJIDSGSA-N
MW504.44 g/mol
LogP3.41
Rot. Bonds7

About [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate

[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (PubChem CID 10255545) has the molecular formula C24H22F2N2O8 and a molecular weight of 504.44 g/mol. Its IUPAC name is [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
PubChem CID10255545
Molecular FormulaC24H22F2N2O8
Molecular Weight504.44 g/mol
Exact Mass504.13
IUPAC Name[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](COC(C)=O)OC4=O)cc3F)c(F)c2)C(=O)O1
InChIInChI=1S/C24H22F2N2O8/c1-13(29)33-11-17-9-27(23(31)35-17)15-3-5-19(21(25)7-15)20-6-4-16(8-22(20)26)28-10-18(36-24(28)32)12-34-14(2)30/h3-8,17-18H,9-12H2,1-2H3/t17-,18-/m1/s1
InChIKeyAUCWOEVMGVXKRW-QZTJIDSGSA-N
XLogP3.41
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate (CID 10255545) is [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is CC(=O)OC[C@H]1CN(c2ccc(-c3ccc(N4C[C@H](COC(C)=O)OC4=O)cc3F)c(F)c2)C(=O)O1.
What is the InChIKey of [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
The InChIKey is AUCWOEVMGVXKRW-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H22F2N2O8/c1-13(29)33-11-17-9-27(23(31)35-17)15-3-5-19(21(25)7-15)20-6-4-16(8-22(20)26)28-10-18(36-24(28)32)12-34-14(2)30/h3-8,17-18H,9-12H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate?
[(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate has a molecular weight of 504.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-[4-[(5R)-5-(acetyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 10255545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).