[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate

C12H23NO5SSi — CID 87207809

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCc1nc(COS(C)(=O)=O)co1
InChIInChI=1S/C12H23NO5SSi/c1-12(2,3)20(5,6)18-9-11-13-10(7-16-11)8-17-19(4,14)15/h7H,8-9H2,1-6H3
InChIKeySHBMWEXXBNUWGA-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.67
Rot. Bonds6

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate (PubChem CID 87207809) has the molecular formula C12H23NO5SSi and a molecular weight of 321.47 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate
PubChem CID87207809
Molecular FormulaC12H23NO5SSi
Molecular Weight321.47 g/mol
Exact Mass321.11
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate
SMILESCC(C)(C)[Si](C)(C)OCc1nc(COS(C)(=O)=O)co1
InChIInChI=1S/C12H23NO5SSi/c1-12(2,3)20(5,6)18-9-11-13-10(7-16-11)8-17-19(4,14)15/h7H,8-9H2,1-6H3
InChIKeySHBMWEXXBNUWGA-UHFFFAOYSA-N
XLogP2.67
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate (CID 87207809) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate is CC(C)(C)[Si](C)(C)OCc1nc(COS(C)(=O)=O)co1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate?
The InChIKey is SHBMWEXXBNUWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5SSi/c1-12(2,3)20(5,6)18-9-11-13-10(7-16-11)8-17-19(4,14)15/h7H,8-9H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate has a molecular weight of 321.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl methanesulfonate is sourced from PubChem (CID 87207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).