methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

C22H37NO4Si — CID 10982413

IUPACmethyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H](C(C)C)OCN1Cc1ccccc1
InChIInChI=1S/C22H37NO4Si/c1-17(2)19-22(20(24)25-6,15-27-28(7,8)21(3,4)5)23(16-26-19)14-18-12-10-9-11-13-18/h9-13,17,19H,14-16H2,1-8H3/t19-,22+/m0/s1
InChIKeyOFXLEKMBGYYVLF-SIKLNZKXSA-N
MW407.63 g/mol
LogP4.43
Rot. Bonds7

About methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 10982413) has the molecular formula C22H37NO4Si and a molecular weight of 407.63 g/mol. Its IUPAC name is methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID10982413
Molecular FormulaC22H37NO4Si
Molecular Weight407.63 g/mol
Exact Mass407.25
IUPAC Namemethyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H](C(C)C)OCN1Cc1ccccc1
InChIInChI=1S/C22H37NO4Si/c1-17(2)19-22(20(24)25-6,15-27-28(7,8)21(3,4)5)23(16-26-19)14-18-12-10-9-11-13-18/h9-13,17,19H,14-16H2,1-8H3/t19-,22+/m0/s1
InChIKeyOFXLEKMBGYYVLF-SIKLNZKXSA-N
XLogP4.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate 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 methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 10982413) is methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H](C(C)C)OCN1Cc1ccccc1.
What is the InChIKey of methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is OFXLEKMBGYYVLF-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H37NO4Si/c1-17(2)19-22(20(24)25-6,15-27-28(7,8)21(3,4)5)23(16-26-19)14-18-12-10-9-11-13-18/h9-13,17,19H,14-16H2,1-8H3/t19-,22+/m0/s1.
What are the key properties of methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 407.63 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10982413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).