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

C18H27NO5Si — CID 102150396

IUPACbenzyl (4R)-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-/m1/s1
InChIKeyJDJMGQLHONRZHZ-OAHLLOKOSA-N
MW365.50 g/mol
LogP3.53
Rot. Bonds5

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

benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 102150396) has the molecular formula C18H27NO5Si and a molecular weight of 365.50 g/mol. Its IUPAC name is benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID102150396
Molecular FormulaC18H27NO5Si
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Namebenzyl (4R)-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-/m1/s1
InChIKeyJDJMGQLHONRZHZ-OAHLLOKOSA-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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Related Compounds

benzyl (4R)-5-oxo-4-(sulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 101064250
benzyl (4S)-4-(bromomethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67707384
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
benzyl (2S,3aS,6aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 162782558
benzyl 4-(3,3-dimethoxypropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 59168843
benzyl 4-(3,3-difluoropropyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 174342570
5-[(4R)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]pentanoic acid
CID 139786436
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl (4S)-4-(2-diethoxyphosphanylethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 67742203
benzyl (4S)-4-(4,4-dimethoxybutyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10947705
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 102109507

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 102150396) is benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-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 (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is JDJMGQLHONRZHZ-OAHLLOKOSA-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-/m1/s1.
What are the key properties of benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl (4R)-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 (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 102150396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).