(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C26H44N2O4Si2 — CID 10505711

IUPAC(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[Si](O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@H]2c2ccccc2)C(=O)N1[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H44N2O4Si2/c1-17(2)34(18(3)4,19(5)6)32-20(7)23-24(25(29)28(23)33(8,9)10)27-22(16-31-26(27)30)21-14-12-11-13-15-21/h11-15,17-20,22-24H,16H2,1-10H3/t20-,22-,23+,24+/m0/s1
InChIKeyBVQHYTUBZNTNJT-IQFVJIFQSA-N
MW504.82 g/mol
LogP6.17
Rot. Bonds9

About (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10505711) has the molecular formula C26H44N2O4Si2 and a molecular weight of 504.82 g/mol. Its IUPAC name is (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10505711
Molecular FormulaC26H44N2O4Si2
Molecular Weight504.82 g/mol
Exact Mass504.28
IUPAC Name(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[Si](O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@H]2c2ccccc2)C(=O)N1[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H44N2O4Si2/c1-17(2)34(18(3)4,19(5)6)32-20(7)23-24(25(29)28(23)33(8,9)10)27-22(16-31-26(27)30)21-14-12-11-13-15-21/h11-15,17-20,22-24H,16H2,1-10H3/t20-,22-,23+,24+/m0/s1
InChIKeyBVQHYTUBZNTNJT-IQFVJIFQSA-N
XLogP6.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.82
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

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 (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10505711) is (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[Si](O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@H]2c2ccccc2)C(=O)N1[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BVQHYTUBZNTNJT-IQFVJIFQSA-N. The full InChI is InChI=1S/C26H44N2O4Si2/c1-17(2)34(18(3)4,19(5)6)32-20(7)23-24(25(29)28(23)33(8,9)10)27-22(16-31-26(27)30)21-14-12-11-13-15-21/h11-15,17-20,22-24H,16H2,1-10H3/t20-,22-,23+,24+/m0/s1.
What are the key properties of (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 504.82 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10505711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).