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

C21H35NO2Si — CID 102461684

IUPAC(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-20(2,3)19-14-18(16-23-25(7,8)21(4,5)6)24-22(19)15-17-12-10-9-11-13-17/h9-14,19H,15-16H2,1-8H3
InChIKeyIOTKHBFHQXGIAS-UHFFFAOYSA-N
MW361.60 g/mol
LogP5.75
Rot. Bonds5

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

(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 102461684) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID102461684
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC Name(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-20(2,3)19-14-18(16-23-25(7,8)21(4,5)6)24-22(19)15-17-12-10-9-11-13-17/h9-14,19H,15-16H2,1-8H3
InChIKeyIOTKHBFHQXGIAS-UHFFFAOYSA-N
XLogP5.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.60
LogP ≤ 55.75
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

[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
[(1Z)-1-(1-benzyl-4-methylidenepyrrolidin-3-ylidene)propan-2-yl]oxy-tert-butyl-dimethylsilane
CID 14359848
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
CID 101003970
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-yn-3-yl]hydroxylamine
CID 102461678
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461683
(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461687
[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924167
[(3R,5R)-2-benzyl-3-tert-butyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924168
[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924654
[(3S,5R)-2-benzyl-3-tert-butyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924661
[(3R,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924959

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (CID 102461684) is (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)C1C=C(CO[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is IOTKHBFHQXGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-20(2,3)19-14-18(16-23-25(7,8)21(4,5)6)24-22(19)15-17-12-10-9-11-13-17/h9-14,19H,15-16H2,1-8H3.
What are the key properties of (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 361.60 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102461684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).