(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane

C19H33NOSi2 — CID 11221756

IUPAC(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane
SMILESCC(C)C1C([Si](C)(C)C)=C([Si](C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NOSi2/c1-15(2)17-18(22(3,4)5)19(23(6,7)8)21-20(17)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3
InChIKeyBOBVRBYKYDHGNX-UHFFFAOYSA-N
MW347.65 g/mol
LogP5.47
Rot. Bonds5

About (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane

(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane (PubChem CID 11221756) has the molecular formula C19H33NOSi2 and a molecular weight of 347.65 g/mol. Its IUPAC name is (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane
PubChem CID11221756
Molecular FormulaC19H33NOSi2
Molecular Weight347.65 g/mol
Exact Mass347.21
IUPAC Name(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane
SMILESCC(C)C1C([Si](C)(C)C)=C([Si](C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NOSi2/c1-15(2)17-18(22(3,4)5)19(23(6,7)8)21-20(17)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3
InChIKeyBOBVRBYKYDHGNX-UHFFFAOYSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.65
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane?
The IUPAC name of (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane (CID 11221756) is (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane.
What is the SMILES notation for (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane?
The canonical SMILES for (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane is CC(C)C1C([Si](C)(C)C)=C([Si](C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane?
The InChIKey is BOBVRBYKYDHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOSi2/c1-15(2)17-18(22(3,4)5)19(23(6,7)8)21-20(17)14-16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3.
What are the key properties of (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane?
(2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane has a molecular weight of 347.65 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-propan-2-yl-4-trimethylsilyl-3H-1,2-oxazol-5-yl)-trimethylsilane is sourced from PubChem (CID 11221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).