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

C23H35NO5Si — CID 101354502

IUPAC(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,14,16-17,19-20H,13,15H2,1-7H3/t16?,17-,19-,20+/m0/s1
InChIKeyMMVIXNYMYDKPOD-WOCFUTGOSA-N
MW433.62 g/mol
LogP4.44
Rot. Bonds8

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

(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal (PubChem CID 101354502) has the molecular formula C23H35NO5Si and a molecular weight of 433.62 g/mol. Its IUPAC name is (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal.

Molecular Properties

Compound Name(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
PubChem CID101354502
Molecular FormulaC23H35NO5Si
Molecular Weight433.62 g/mol
Exact Mass433.23
IUPAC Name(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
SMILESCC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,14,16-17,19-20H,13,15H2,1-7H3/t16?,17-,19-,20+/m0/s1
InChIKeyMMVIXNYMYDKPOD-WOCFUTGOSA-N
XLogP4.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(4R)-4-benzyl-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(E,2S,3R,4S,8S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8-trimethylnon-5-ene-1,7-dione
CID 11296643
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptanoyl]-1,3-oxazolidin-2-one
CID 12000541
(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane
CID 161180827
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4S)-4-benzyl-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 15812717
(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 53470469
(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one
CID 101222413
(4S)-4-benzyl-3-[(2S,3S)-3-butoxy-4,4-dimethoxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 90320710
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutanal
CID 14609646
(4S)-4-benzyl-3-[(E,2S,3R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 11102769

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal?
The IUPAC name of (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal (CID 101354502) is (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal.
What is the SMILES notation for (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal?
The canonical SMILES for (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal is CC(C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal?
The InChIKey is MMVIXNYMYDKPOD-WOCFUTGOSA-N. The full InChI is InChI=1S/C23H35NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,14,16-17,19-20H,13,15H2,1-7H3/t16?,17-,19-,20+/m0/s1.
What are the key properties of (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal?
(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal has a molecular weight of 433.62 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal is sourced from PubChem (CID 101354502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).