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

C23H31NO2Si — CID 102461687

IUPAC(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)25-18-21-16-22(20-14-10-7-11-15-20)24(26-21)17-19-12-8-6-9-13-19/h6-16,22H,17-18H2,1-5H3
InChIKeyRYHLBVLGCMIXPI-UHFFFAOYSA-N
MW381.59 g/mol
LogP6.08
Rot. Bonds6

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

(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 102461687) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID102461687
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)25-18-21-16-22(20-14-10-7-11-15-20)24(26-21)17-19-12-8-6-9-13-19/h6-16,22H,17-18H2,1-5H3
InChIKeyRYHLBVLGCMIXPI-UHFFFAOYSA-N
XLogP6.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 56.08
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

N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 14867116
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole
CID 101380889
N-benzyl-N-[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl]oxy-1-phenylmethanamine
CID 101780973
2-benzyl-3-phenyl-3H-1,2-oxazole
CID 102312531
N-benzyl-N-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-2-ynyl]hydroxylamine
CID 102461681
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461683
(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461684
[(3S,5R)-2-benzyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924515
[(3R,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924516
[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134925035
[(3R,5R)-2-benzyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134925737

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane (CID 102461687) is (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=CC(c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is RYHLBVLGCMIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)25-18-21-16-22(20-14-10-7-11-15-20)24(26-21)17-19-12-8-6-9-13-19/h6-16,22H,17-18H2,1-5H3.
What are the key properties of (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane?
(2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 381.59 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-phenyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).