5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one

C21H25NO3Si — CID 23548070

IUPAC5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one
SMILESCC(C)(C)[Si](OCCc1cc(=O)[nH]o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-15-14-17-16-20(23)22-25-17/h4-13,16H,14-15H2,1-3H3,(H,22,23)
InChIKeyPLARVPQCVRPVQA-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.09
Rot. Bonds6

About 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one

5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one (PubChem CID 23548070) has the molecular formula C21H25NO3Si and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one
PubChem CID23548070
Molecular FormulaC21H25NO3Si
Molecular Weight367.52 g/mol
Exact Mass367.16
IUPAC Name5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one
SMILESCC(C)(C)[Si](OCCc1cc(=O)[nH]o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-15-14-17-16-20(23)22-25-17/h4-13,16H,14-15H2,1-3H3,(H,22,23)
InChIKeyPLARVPQCVRPVQA-UHFFFAOYSA-N
XLogP3.09
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one (CID 23548070) is 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one is CC(C)(C)[Si](OCCc1cc(=O)[nH]o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one?
The InChIKey is PLARVPQCVRPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3Si/c1-21(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-15-14-17-16-20(23)22-25-17/h4-13,16H,14-15H2,1-3H3,(H,22,23).
What are the key properties of 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one?
5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one has a molecular weight of 367.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2-oxazol-3-one is sourced from PubChem (CID 23548070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).