(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

C25H40N2O4Si — CID 10527971

IUPAC(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
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)OC[C@@H]2C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H40N2O4Si/c1-17(31-32(8,9)25(5,6)7)20-21(27-19(24(2,3)4)16-30-23(27)29)22(28)26(20)15-18-13-11-10-12-14-18/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19-,20+,21-/m1/s1
InChIKeyGGOHLGOBUOIASC-AYWYSENESA-N
MW460.69 g/mol
LogP5.04
Rot. Bonds6

About (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

(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 (PubChem CID 10527971) has the molecular formula C25H40N2O4Si and a molecular weight of 460.69 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10527971
Molecular FormulaC25H40N2O4Si
Molecular Weight460.69 g/mol
Exact Mass460.28
IUPAC Name(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
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)OC[C@@H]2C(C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C25H40N2O4Si/c1-17(31-32(8,9)25(5,6)7)20-21(27-19(24(2,3)4)16-30-23(27)29)22(28)26(20)15-18-13-11-10-12-14-18/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19-,20+,21-/m1/s1
InChIKeyGGOHLGOBUOIASC-AYWYSENESA-N
XLogP5.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101366356
(4S)-3-[(3S)-1-[bis-(trimethylsilyl)-methyl]-2,2-dimethyl-4-oxo-azetidin-3-yl]-4-phenyl-oxazolidin-2-one
CID 11796311
(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
(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-[(2R,3S)-1-[bis(trimethylsilyl)methyl]-2-ethyl-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10765207
(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-2-oxo-3-propylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511545
(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-2-oxo-3-prop-2-enylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511547
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14281572
N-[(2S,3R)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)-2-phenylacetamide
CID 22840839
(2S,4R)-2-(N-benzyl-2-azetidinon-4-yl)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxypyrrolidine
CID 57319918

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)OC[C@@H]2C(C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (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?
The InChIKey is GGOHLGOBUOIASC-AYWYSENESA-N. The full InChI is InChI=1S/C25H40N2O4Si/c1-17(31-32(8,9)25(5,6)7)20-21(27-19(24(2,3)4)16-30-23(27)29)22(28)26(20)15-18-13-11-10-12-14-18/h10-14,17,19-21H,15-16H2,1-9H3/t17-,19-,20+,21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 460.69 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10527971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).