(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one

C23H33NO4Si — CID 101222413

IUPAC(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C#C[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H33NO4Si/c1-17(20(27-5)13-14-29(6,7)23(2,3)4)21(25)24-19(16-28-22(24)26)15-18-11-9-8-10-12-18/h8-12,17,19-20H,15-16H2,1-7H3/t17-,19-,20+/m1/s1
InChIKeyBMVOQSLHPFLHQM-RLLQIKCJSA-N
MW415.61 g/mol
LogP4.28
Rot. Bonds5

About (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one (PubChem CID 101222413) has the molecular formula C23H33NO4Si and a molecular weight of 415.61 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one
PubChem CID101222413
Molecular FormulaC23H33NO4Si
Molecular Weight415.61 g/mol
Exact Mass415.22
IUPAC Name(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one
SMILESCO[C@@H](C#C[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H33NO4Si/c1-17(20(27-5)13-14-29(6,7)23(2,3)4)21(25)24-19(16-28-22(24)26)15-18-11-9-8-10-12-18/h8-12,17,19-20H,15-16H2,1-7H3/t17-,19-,20+/m1/s1
InChIKeyBMVOQSLHPFLHQM-RLLQIKCJSA-N
XLogP4.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(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
(4R)-4-benzyl-3-[(2R,3R)-3-[(2S)-1-tert-butylpyrrolidin-2-yl]-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 162516189
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 53470469
(4S)-4-benzyl-3-[(Z,2S,3R)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,5-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11592251
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
methyl (2S,3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-2-methyl-4-oxobutanoate
CID 102002465
(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
(4S)-4-benzyl-3-[(2S,3S)-3-butoxy-4,4-dimethoxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 90320710

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one (CID 101222413) is (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one is CO[C@@H](C#C[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one?
The InChIKey is BMVOQSLHPFLHQM-RLLQIKCJSA-N. The full InChI is InChI=1S/C23H33NO4Si/c1-17(20(27-5)13-14-29(6,7)23(2,3)4)21(25)24-19(16-28-22(24)26)15-18-11-9-8-10-12-18/h8-12,17,19-20H,15-16H2,1-7H3/t17-,19-,20+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one has a molecular weight of 415.61 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3R)-5-[tert-butyl(dimethyl)silyl]-3-methoxy-2-methylpent-4-ynoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101222413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).