tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C25H39NO6Si — CID 24805914

IUPACtert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H39NO6Si/c1-24(2,3)31-21(27)15-14-20(32-33(7,8)25(4,5)6)22(28)26-19(17-30-23(26)29)16-18-12-10-9-11-13-18/h9-13,19-20H,14-17H2,1-8H3/t19-,20+/m1/s1
InChIKeyDRXFDAYFMAEDSY-UXHICEINSA-N
MW477.67 g/mol
LogP5.09
Rot. Bonds8

About tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 24805914) has the molecular formula C25H39NO6Si and a molecular weight of 477.67 g/mol. Its IUPAC name is tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID24805914
Molecular FormulaC25H39NO6Si
Molecular Weight477.67 g/mol
Exact Mass477.25
IUPAC Nametert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCC(C)(C)OC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H39NO6Si/c1-24(2,3)31-21(27)15-14-20(32-33(7,8)25(4,5)6)22(28)26-19(17-30-23(26)29)16-18-12-10-9-11-13-18/h9-13,19-20H,14-17H2,1-8H3/t19-,20+/m1/s1
InChIKeyDRXFDAYFMAEDSY-UXHICEINSA-N
XLogP5.09
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 10938316
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 134905072
methyl (3R,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3,4-dimethyl-5-oxopentanoate
CID 134905839
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4S)-3-[4-(t-butyldimethylsilyloxy)butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 54671782
(4R)-4-benzyl-3-[(2S,4E)-2-triethylsilyloxy-5-(trifluoromethyl)octa-4,7-dienoyl]-1,3-oxazolidin-2-one
CID 68033517
(4R)-4-benzyl-3-[(2S)-2-triethylsilyloxy-5-(trifluoromethyl)oct-7-enoyl]-1,3-oxazolidin-2-one
CID 88983225
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-3-hydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
CID 10962013
(4R)-4-benzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-1,3-oxazolidin-2-one
CID 16071216
methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 24805913

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 24805914) is tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is CC(C)(C)OC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is DRXFDAYFMAEDSY-UXHICEINSA-N. The full InChI is InChI=1S/C25H39NO6Si/c1-24(2,3)31-21(27)15-14-20(32-33(7,8)25(4,5)6)22(28)26-19(17-30-23(26)29)16-18-12-10-9-11-13-18/h9-13,19-20H,14-17H2,1-8H3/t19-,20+/m1/s1.
What are the key properties of tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 477.67 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 24805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).