(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C40H48F2N2O5Si2 — CID 71511800

IUPAC(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)Oc1ccc(CCN(c2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C40H48F2N2O5Si2/c1-50(2,3)48-35-22-12-29(13-23-35)26-27-43(34-20-18-33(42)19-21-34)36(24-25-38(49-51(4,5)6)31-14-16-32(41)17-15-31)39(45)44-37(28-47-40(44)46)30-10-8-7-9-11-30/h7-23,36-38H,24-28H2,1-6H3/t36-,37-,38+/m1/s1
InChIKeyXYEIYEHFUVNMRK-IZNNDHRXSA-N
MW731.00 g/mol
LogP9.69
Rot. Bonds15

About (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71511800) has the molecular formula C40H48F2N2O5Si2 and a molecular weight of 731.00 g/mol. Its IUPAC name is (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71511800
Molecular FormulaC40H48F2N2O5Si2
Molecular Weight731.00 g/mol
Exact Mass730.31
IUPAC Name(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)Oc1ccc(CCN(c2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C40H48F2N2O5Si2/c1-50(2,3)48-35-22-12-29(13-23-35)26-27-43(34-20-18-33(42)19-21-34)36(24-25-38(49-51(4,5)6)31-14-16-32(41)17-15-31)39(45)44-37(28-47-40(44)46)30-10-8-7-9-11-30/h7-23,36-38H,24-28H2,1-6H3/t36-,37-,38+/m1/s1
InChIKeyXYEIYEHFUVNMRK-IZNNDHRXSA-N
XLogP9.69
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 71511800) is (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C)Oc1ccc(CCN(c2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XYEIYEHFUVNMRK-IZNNDHRXSA-N. The full InChI is InChI=1S/C40H48F2N2O5Si2/c1-50(2,3)48-35-22-12-29(13-23-35)26-27-43(34-20-18-33(42)19-21-34)36(24-25-38(49-51(4,5)6)31-14-16-32(41)17-15-31)39(45)44-37(28-47-40(44)46)30-10-8-7-9-11-30/h7-23,36-38H,24-28H2,1-6H3/t36-,37-,38+/m1/s1.
What are the key properties of (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 731.00 g/mol, XLogP of 9.69, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[4-fluoro-N-[2-(4-trimethylsilyloxyphenyl)ethyl]anilino]-5-trimethylsilyloxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71511800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).