(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C22H36N2O3Si2 — CID 101366356

IUPAC(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H36N2O3Si2/c1-15(2)18-19(20(25)24(18)22(28(3,4)5)29(6,7)8)23-17(14-27-21(23)26)16-12-10-9-11-13-16/h9-13,15,17-19,22H,14H2,1-8H3/t17-,18-,19+/m1/s1
InChIKeyNGOLEJMFAXPEPE-QRVBRYPASA-N
MW432.71 g/mol
LogP4.54
Rot. Bonds6

About (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101366356) has the molecular formula C22H36N2O3Si2 and a molecular weight of 432.71 g/mol. Its IUPAC name is (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101366356
Molecular FormulaC22H36N2O3Si2
Molecular Weight432.71 g/mol
Exact Mass432.23
IUPAC Name(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C22H36N2O3Si2/c1-15(2)18-19(20(25)24(18)22(28(3,4)5)29(6,7)8)23-17(14-27-21(23)26)16-12-10-9-11-13-16/h9-13,15,17-19,22H,14H2,1-8H3/t17-,18-,19+/m1/s1
InChIKeyNGOLEJMFAXPEPE-QRVBRYPASA-N
XLogP4.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(trimethylsilyl)ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428423
(S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(2-(piperidin-1-yl)ethyl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
CID 44428425
(S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
CID 44428426
(S)-N-benzyl-4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
CID 44428427
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041
(4S)-3-[(3S)-3-methylhexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11161687
(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
(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
CID 10665536
methyl (2S)-2-[[(2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]-methylamino]propanoate
CID 388575
(4S)-3-(2-azepan-1-yl-2-oxoethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 72873452

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NGOLEJMFAXPEPE-QRVBRYPASA-N. The full InChI is InChI=1S/C22H36N2O3Si2/c1-15(2)18-19(20(25)24(18)22(28(3,4)5)29(6,7)8)23-17(14-27-21(23)26)16-12-10-9-11-13-16/h9-13,15,17-19,22H,14H2,1-8H3/t17-,18-,19+/m1/s1.
What are the key properties of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 432.71 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101366356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).