trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane

C16H26N2OSSi2 — CID 71653867

IUPACtrimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane
SMILESC[Si](C)(C)C(SCc1nnc(-c2ccccc2)o1)[Si](C)(C)C
InChIInChI=1S/C16H26N2OSSi2/c1-21(2,3)16(22(4,5)6)20-12-14-17-18-15(19-14)13-10-8-7-9-11-13/h7-11,16H,12H2,1-6H3
InChIKeyCSEZPCPHBDXUCG-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.09
Rot. Bonds6

About trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane

trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane (PubChem CID 71653867) has the molecular formula C16H26N2OSSi2 and a molecular weight of 350.64 g/mol. Its IUPAC name is trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane
PubChem CID71653867
Molecular FormulaC16H26N2OSSi2
Molecular Weight350.64 g/mol
Exact Mass350.13
IUPAC Nametrimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane
SMILESC[Si](C)(C)C(SCc1nnc(-c2ccccc2)o1)[Si](C)(C)C
InChIInChI=1S/C16H26N2OSSi2/c1-21(2,3)16(22(4,5)6)20-12-14-17-18-15(19-14)13-10-8-7-9-11-13/h7-11,16H,12H2,1-6H3
InChIKeyCSEZPCPHBDXUCG-UHFFFAOYSA-N
XLogP5.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane?
The IUPAC name of trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane (CID 71653867) is trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane.
What is the SMILES notation for trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane?
The canonical SMILES for trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane is C[Si](C)(C)C(SCc1nnc(-c2ccccc2)o1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane?
The InChIKey is CSEZPCPHBDXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OSSi2/c1-21(2,3)16(22(4,5)6)20-12-14-17-18-15(19-14)13-10-8-7-9-11-13/h7-11,16H,12H2,1-6H3.
What are the key properties of trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane?
trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane has a molecular weight of 350.64 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl-trimethylsilylmethyl]silane is sourced from PubChem (CID 71653867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).