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

C12H23NO3Si — CID 86698202

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol
SMILESCC(O)c1nc(CO[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C12H23NO3Si/c1-9(14)11-13-10(7-15-11)8-16-17(5,6)12(2,3)4/h7,9,14H,8H2,1-6H3
InChIKeyAQLBDKCKLKMSJZ-UHFFFAOYSA-N
MW257.41 g/mol
LogP3.25
Rot. Bonds4

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

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol (PubChem CID 86698202) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol
PubChem CID86698202
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol
SMILESCC(O)c1nc(CO[Si](C)(C)C(C)(C)C)co1
InChIInChI=1S/C12H23NO3Si/c1-9(14)11-13-10(7-15-11)8-16-17(5,6)12(2,3)4/h7,9,14H,8H2,1-6H3
InChIKeyAQLBDKCKLKMSJZ-UHFFFAOYSA-N
XLogP3.25
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol (CID 86698202) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol is CC(O)c1nc(CO[Si](C)(C)C(C)(C)C)co1.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol?
The InChIKey is AQLBDKCKLKMSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3Si/c1-9(14)11-13-10(7-15-11)8-16-17(5,6)12(2,3)4/h7,9,14H,8H2,1-6H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol has a molecular weight of 257.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]ethanol is sourced from PubChem (CID 86698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).