(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane

C20H33NO2Si — CID 102461683

IUPAC(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-16(2)19-13-18(15-22-24(6,7)20(3,4)5)23-21(19)14-17-11-9-8-10-12-17/h8-13,16,19H,14-15H2,1-7H3
InChIKeyQDROLWVAAGWMMB-UHFFFAOYSA-N
MW347.57 g/mol
LogP5.36
Rot. Bonds6

About (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane

(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 102461683) has the molecular formula C20H33NO2Si and a molecular weight of 347.57 g/mol. Its IUPAC name is (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID102461683
Molecular FormulaC20H33NO2Si
Molecular Weight347.57 g/mol
Exact Mass347.23
IUPAC Name(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-16(2)19-13-18(15-22-24(6,7)20(3,4)5)23-21(19)14-17-11-9-8-10-12-17/h8-13,16,19H,14-15H2,1-7H3
InChIKeyQDROLWVAAGWMMB-UHFFFAOYSA-N
XLogP5.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.57
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134923906
(3-benzylimidazol-4-yl)methoxy-tert-butyl-dimethylsilane
CID 14410060
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
[(3aS,4S,7aS)-1-benzyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 15415065
1-(4-benzylpiperazin-1-yl)-3-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 171484955
[(2R,3R)-1-benzyl-3-(trifluoromethyl)aziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 23243951
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
CID 140753736
2-(1-benzylpiperidin-4-yl)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10433334
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (CID 102461683) is (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is CC(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is QDROLWVAAGWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-16(2)19-13-18(15-22-24(6,7)20(3,4)5)23-21(19)14-17-11-9-8-10-12-17/h8-13,16,19H,14-15H2,1-7H3.
What are the key properties of (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 347.57 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102461683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).