(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane

C23H33NOSi — CID 102489726

IUPAC(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1cccc2c1ON(C(C)(C)C)C2c1ccccc1
InChIInChI=1S/C23H33NOSi/c1-7-26(8-2,9-3)20-17-13-16-19-21(18-14-11-10-12-15-18)24(23(4,5)6)25-22(19)20/h10-17,21H,7-9H2,1-6H3
InChIKeyQOIJHROOOWKYIZ-UHFFFAOYSA-N
MW367.61 g/mol
LogP5.90
Rot. Bonds5

About (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane

(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane (PubChem CID 102489726) has the molecular formula C23H33NOSi and a molecular weight of 367.61 g/mol. Its IUPAC name is (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane.

Molecular Properties

Compound Name(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane
PubChem CID102489726
Molecular FormulaC23H33NOSi
Molecular Weight367.61 g/mol
Exact Mass367.23
IUPAC Name(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1cccc2c1ON(C(C)(C)C)C2c1ccccc1
InChIInChI=1S/C23H33NOSi/c1-7-26(8-2,9-3)20-17-13-16-19-21(18-14-11-10-12-15-18)24(23(4,5)6)25-22(19)20/h10-17,21H,7-9H2,1-6H3
InChIKeyQOIJHROOOWKYIZ-UHFFFAOYSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.90
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-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane?
The IUPAC name of (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane (CID 102489726) is (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane.
What is the SMILES notation for (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane?
The canonical SMILES for (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane is CC[Si](CC)(CC)c1cccc2c1ON(C(C)(C)C)C2c1ccccc1.
What is the InChIKey of (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane?
The InChIKey is QOIJHROOOWKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NOSi/c1-7-26(8-2,9-3)20-17-13-16-19-21(18-14-11-10-12-15-18)24(23(4,5)6)25-22(19)20/h10-17,21H,7-9H2,1-6H3.
What are the key properties of (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane?
(2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane has a molecular weight of 367.61 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-phenyl-3H-1,2-benzoxazol-7-yl)-triethylsilane is sourced from PubChem (CID 102489726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).