4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one

C22H27NO3Si — CID 11047178

IUPAC4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one
SMILESCC(C)(C)[Si](OCCCc1coc(=O)[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-16-10-11-18-17-25-21(24)23-18/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,23,24)
InChIKeyLDLIMUOYCBNCJM-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.48
Rot. Bonds7

About 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one

4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one (PubChem CID 11047178) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one
PubChem CID11047178
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one
SMILESCC(C)(C)[Si](OCCCc1coc(=O)[nH]1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-16-10-11-18-17-25-21(24)23-18/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,23,24)
InChIKeyLDLIMUOYCBNCJM-UHFFFAOYSA-N
XLogP3.48
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one (CID 11047178) is 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one is CC(C)(C)[Si](OCCCc1coc(=O)[nH]1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one?
The InChIKey is LDLIMUOYCBNCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-22(2,3)27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-16-10-11-18-17-25-21(24)23-18/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,23,24).
What are the key properties of 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one?
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one has a molecular weight of 381.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 11047178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).