3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one

C22H32N2O5Si — CID 71148476

IUPAC3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)NC1CC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C22H32N2O5Si/c1-14(29-30(5,6)22(2,3)4)19-17(23-20(19)26)13-18(25)15-7-9-16(10-8-15)24-11-12-28-21(24)27/h7-10,14,17,19H,11-13H2,1-6H3,(H,23,26)/t14-,17?,19-/m1/s1
InChIKeyVUKWVWKMCGIJFG-LJMFKLJISA-N
MW432.59 g/mol
LogP3.74
Rot. Bonds7

About 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 71148476) has the molecular formula C22H32N2O5Si and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID71148476
Molecular FormulaC22H32N2O5Si
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)NC1CC(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C22H32N2O5Si/c1-14(29-30(5,6)22(2,3)4)19-17(23-20(19)26)13-18(25)15-7-9-16(10-8-15)24-11-12-28-21(24)27/h7-10,14,17,19H,11-13H2,1-6H3,(H,23,26)/t14-,17?,19-/m1/s1
InChIKeyVUKWVWKMCGIJFG-LJMFKLJISA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-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 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one (CID 71148476) is 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)NC1CC(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VUKWVWKMCGIJFG-LJMFKLJISA-N. The full InChI is InChI=1S/C22H32N2O5Si/c1-14(29-30(5,6)22(2,3)4)19-17(23-20(19)26)13-18(25)15-7-9-16(10-8-15)24-11-12-28-21(24)27/h7-10,14,17,19H,11-13H2,1-6H3,(H,23,26)/t14-,17?,19-/m1/s1.
What are the key properties of 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 432.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71148476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).