tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate

C31H46FN3O5Si — CID 91084366

IUPACtert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate
SMILESCN(Cc1ccccc1)c1c(F)cc(N2C[C@@H](N(C)C(=O)OC(C)(C)C)OC2=O)cc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H46FN3O5Si/c1-30(2,3)40-28(36)34(8)26-21-35(29(37)39-26)24-18-23(16-17-38-41(9,10)31(4,5)6)27(25(32)19-24)33(7)20-22-14-12-11-13-15-22/h11-15,18-19,26H,16-17,20-21H2,1-10H3/t26-/m0/s1
InChIKeyQGKUNBYEIQOEIP-SANMLTNESA-N
MW587.81 g/mol
LogP7.18
Rot. Bonds9

About tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate

tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate (PubChem CID 91084366) has the molecular formula C31H46FN3O5Si and a molecular weight of 587.81 g/mol. Its IUPAC name is tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate
PubChem CID91084366
Molecular FormulaC31H46FN3O5Si
Molecular Weight587.81 g/mol
Exact Mass587.32
IUPAC Nametert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate
SMILESCN(Cc1ccccc1)c1c(F)cc(N2C[C@@H](N(C)C(=O)OC(C)(C)C)OC2=O)cc1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H46FN3O5Si/c1-30(2,3)40-28(36)34(8)26-21-35(29(37)39-26)24-18-23(16-17-38-41(9,10)31(4,5)6)27(25(32)19-24)33(7)20-22-14-12-11-13-15-22/h11-15,18-19,26H,16-17,20-21H2,1-10H3/t26-/m0/s1
InChIKeyQGKUNBYEIQOEIP-SANMLTNESA-N
XLogP7.18
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.81
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate (CID 91084366) is tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate is CN(Cc1ccccc1)c1c(F)cc(N2C[C@@H](N(C)C(=O)OC(C)(C)C)OC2=O)cc1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate?
The InChIKey is QGKUNBYEIQOEIP-SANMLTNESA-N. The full InChI is InChI=1S/C31H46FN3O5Si/c1-30(2,3)40-28(36)34(8)26-21-35(29(37)39-26)24-18-23(16-17-38-41(9,10)31(4,5)6)27(25(32)19-24)33(7)20-22-14-12-11-13-15-22/h11-15,18-19,26H,16-17,20-21H2,1-10H3/t26-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate?
tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate has a molecular weight of 587.81 g/mol, XLogP of 7.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-3-[4-[benzyl(methyl)amino]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylcarbamate is sourced from PubChem (CID 91084366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).