(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C40H50N2O3Si2 — CID 23251080

IUPAC(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccc2ccccc2c1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C40H50N2O3Si2/c1-28(2)25-34-40(27-29-23-24-30-17-15-16-22-33(30)26-29,37(43)41(34)39(46(3,4)5)47(6,7)8)42-35(31-18-11-9-12-19-31)36(45-38(42)44)32-20-13-10-14-21-32/h9-24,26,28,34-36,39H,25,27H2,1-8H3/t34-,35+,36-,40-/m1/s1
InChIKeyRXHHXTIHSSSXDN-YIJKKJBMSA-N
MW663.02 g/mol
LogP9.44
Rot. Bonds10

About (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 23251080) has the molecular formula C40H50N2O3Si2 and a molecular weight of 663.02 g/mol. Its IUPAC name is (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID23251080
Molecular FormulaC40H50N2O3Si2
Molecular Weight663.02 g/mol
Exact Mass662.34
IUPAC Name(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@H]1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccc2ccccc2c1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C40H50N2O3Si2/c1-28(2)25-34-40(27-29-23-24-30-17-15-16-22-33(30)26-29,37(43)41(34)39(46(3,4)5)47(6,7)8)42-35(31-18-11-9-12-19-31)36(45-38(42)44)32-20-13-10-14-21-32/h9-24,26,28,34-36,39H,25,27H2,1-8H3/t34-,35+,36-,40-/m1/s1
InChIKeyRXHHXTIHSSSXDN-YIJKKJBMSA-N
XLogP9.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.02
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 23251080) is (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CC(C)C[C@H]1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccc2ccccc2c1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is RXHHXTIHSSSXDN-YIJKKJBMSA-N. The full InChI is InChI=1S/C40H50N2O3Si2/c1-28(2)25-34-40(27-29-23-24-30-17-15-16-22-33(30)26-29,37(43)41(34)39(46(3,4)5)47(6,7)8)42-35(31-18-11-9-12-19-31)36(45-38(42)44)32-20-13-10-14-21-32/h9-24,26,28,34-36,39H,25,27H2,1-8H3/t34-,35+,36-,40-/m1/s1.
What are the key properties of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 663.02 g/mol, XLogP of 9.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23251080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).