tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate

C17H30N2O4SSi — CID 134875832

IUPACtert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O[Si](C)(C)C)c2nccs2)COC1(C)C
InChIInChI=1S/C17H30N2O4SSi/c1-16(2,3)22-15(20)19-12(11-21-17(19,4)5)13(23-25(6,7)8)14-18-9-10-24-14/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1
InChIKeyKTOLIJOUFOSGCM-STQMWFEESA-N
MW386.59 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134875832) has the molecular formula C17H30N2O4SSi and a molecular weight of 386.59 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID134875832
Molecular FormulaC17H30N2O4SSi
Molecular Weight386.59 g/mol
Exact Mass386.17
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O[Si](C)(C)C)c2nccs2)COC1(C)C
InChIInChI=1S/C17H30N2O4SSi/c1-16(2,3)22-15(20)19-12(11-21-17(19,4)5)13(23-25(6,7)8)14-18-9-10-24-14/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1
InChIKeyKTOLIJOUFOSGCM-STQMWFEESA-N
XLogP4.41
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate (CID 134875832) is tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@H](O[Si](C)(C)C)c2nccs2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is KTOLIJOUFOSGCM-STQMWFEESA-N. The full InChI is InChI=1S/C17H30N2O4SSi/c1-16(2,3)22-15(20)19-12(11-21-17(19,4)5)13(23-25(6,7)8)14-18-9-10-24-14/h9-10,12-13H,11H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 386.59 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134875832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).