benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C18H27NO5Si — CID 15941022

IUPACbenzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO5Si/c1-18(2,3)25(4,5)24-12-15-16(20)23-13-19(15)17(21)22-11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyJDJMGQLHONRZHZ-HNNXBMFYSA-N
MW365.50 g/mol
LogP3.53
Rot. Bonds5

About benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 15941022) has the molecular formula C18H27NO5Si and a molecular weight of 365.50 g/mol. Its IUPAC name is benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID15941022
Molecular FormulaC18H27NO5Si
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Namebenzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO5Si/c1-18(2,3)25(4,5)24-12-15-16(20)23-13-19(15)17(21)22-11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1
InChIKeyJDJMGQLHONRZHZ-HNNXBMFYSA-N
XLogP3.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 15941022) is benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)[Si](C)(C)OC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is JDJMGQLHONRZHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO5Si/c1-18(2,3)25(4,5)24-12-15-16(20)23-13-19(15)17(21)22-11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m0/s1.
What are the key properties of benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15941022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).