[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

C26H43FN2O8SSi — CID 89083118

IUPAC[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCC(C)C(C)(C)[Si](C)(C)OCCN(C(=O)OC(C)(C)C)c1ccc(N2C[C@H](COS(C)(=O)=O)OC2=O)cc1F
InChIInChI=1S/C26H43FN2O8SSi/c1-18(2)26(6,7)39(9,10)35-14-13-28(24(31)37-25(3,4)5)22-12-11-19(15-21(22)27)29-16-20(36-23(29)30)17-34-38(8,32)33/h11-12,15,18,20H,13-14,16-17H2,1-10H3/t20-/m1/s1
InChIKeyGWKGNDLBVFBCHU-HXUWFJFHSA-N
MW590.79 g/mol
LogP5.53
Rot. Bonds11

About [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (PubChem CID 89083118) has the molecular formula C26H43FN2O8SSi and a molecular weight of 590.79 g/mol. Its IUPAC name is [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
PubChem CID89083118
Molecular FormulaC26H43FN2O8SSi
Molecular Weight590.79 g/mol
Exact Mass590.25
IUPAC Name[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
SMILESCC(C)C(C)(C)[Si](C)(C)OCCN(C(=O)OC(C)(C)C)c1ccc(N2C[C@H](COS(C)(=O)=O)OC2=O)cc1F
InChIInChI=1S/C26H43FN2O8SSi/c1-18(2)26(6,7)39(9,10)35-14-13-28(24(31)37-25(3,4)5)22-12-11-19(15-21(22)27)29-16-20(36-23(29)30)17-34-38(8,32)33/h11-12,15,18,20H,13-14,16-17H2,1-10H3/t20-/m1/s1
InChIKeyGWKGNDLBVFBCHU-HXUWFJFHSA-N
XLogP5.53
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.79
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-fluoro-4-[5-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 21462626
[(5R)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 154776170
tert-butyl 4-[2-fluoro-4-[(5R)-5-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]piperidine-1-carboxylate
CID 87941318
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
tert-butyl N-[2-fluoro-4-[(5R)-5-(isothiocyanatomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-methylcarbamate
CID 142967147
[(5R)-3-(3,5-difluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 25133625
tert-butyl N-[2-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-2-fluoroanilino]ethyl]-N-(methylamino)carbamate
CID 70891592
[(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 90700530
2-[1-[2-fluoro-4-[(5R)-5-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidin-4-yl]-2-isocyanoacetic acid
CID 59754049
[(5R)-3-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 10760653
[3-[3,5-difluoro-4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 72659431
[(5R)-3-[3-fluoro-4-[4-fluoro-4-(methylsulfonyloxymethyl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 90160088

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The IUPAC name of [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate (CID 89083118) is [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate.
What is the SMILES notation for [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The canonical SMILES for [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is CC(C)C(C)(C)[Si](C)(C)OCCN(C(=O)OC(C)(C)C)c1ccc(N2C[C@H](COS(C)(=O)=O)OC2=O)cc1F.
What is the InChIKey of [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
The InChIKey is GWKGNDLBVFBCHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H43FN2O8SSi/c1-18(2)26(6,7)39(9,10)35-14-13-28(24(31)37-25(3,4)5)22-12-11-19(15-21(22)27)29-16-20(36-23(29)30)17-34-38(8,32)33/h11-12,15,18,20H,13-14,16-17H2,1-10H3/t20-/m1/s1.
What are the key properties of [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate?
[(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate has a molecular weight of 590.79 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[4-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate is sourced from PubChem (CID 89083118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).