(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C23H38N2O4Si2 — CID 10576041

IUPAC(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C
InChIInChI=1S/C23H38N2O4Si2/c1-8-31(9-2,10-3)29-17(4)20-21(22(26)25(20)30(5,6)7)24-19(16-28-23(24)27)18-14-12-11-13-15-18/h11-15,17,19-21H,8-10,16H2,1-7H3/t17-,19+,20+,21+/m0/s1
InChIKeyCCSYXJSGQKOPPY-OYNPSCLESA-N
MW462.74 g/mol
LogP5.00
Rot. Bonds9

About (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10576041) has the molecular formula C23H38N2O4Si2 and a molecular weight of 462.74 g/mol. Its IUPAC name is (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10576041
Molecular FormulaC23H38N2O4Si2
Molecular Weight462.74 g/mol
Exact Mass462.24
IUPAC Name(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C
InChIInChI=1S/C23H38N2O4Si2/c1-8-31(9-2,10-3)29-17(4)20-21(22(26)25(20)30(5,6)7)24-19(16-28-23(24)27)18-14-12-11-13-15-18/h11-15,17,19-21H,8-10,16H2,1-7H3/t17-,19+,20+,21+/m0/s1
InChIKeyCCSYXJSGQKOPPY-OYNPSCLESA-N
XLogP5.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.74
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-3-ethyl-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511544
(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511548
(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101366356
(2S)-4-methyl-2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]pentanoyl fluoride
CID 173201275
(4S)-3-[(3S)-1-[bis-(trimethylsilyl)-methyl]-2,2-dimethyl-4-oxo-azetidin-3-yl]-4-phenyl-oxazolidin-2-one
CID 11796311
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10527971
(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10696964
(4S)-3-[(2S,3S)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10765809
(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-isobutyl-3-[(4S)-4-phenyl-2-oxo-1,3-oxazolidin-3-yl]-azetidin-2-one
CID 12111494
(4S)-3-[(3S,4S)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 134919881
(4S)-3-[(3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 135022738
(4S)-3-[(2R,3S)-1-[bis(trimethylsilyl)methyl]-2-ethyl-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10765207

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10576041) is (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CCSYXJSGQKOPPY-OYNPSCLESA-N. The full InChI is InChI=1S/C23H38N2O4Si2/c1-8-31(9-2,10-3)29-17(4)20-21(22(26)25(20)30(5,6)7)24-19(16-28-23(24)27)18-14-12-11-13-15-18/h11-15,17,19-21H,8-10,16H2,1-7H3/t17-,19+,20+,21+/m0/s1.
What are the key properties of (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 462.74 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10576041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).