2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole

C10H14N2OSi — CID 13271407

IUPAC2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole
SMILESCC1=NN(c2ccccc2)[Si](C)(C)O1
InChIInChI=1S/C10H14N2OSi/c1-9-11-12(14(2,3)13-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeySGLKFHDZGOXSIX-UHFFFAOYSA-N
MW206.32 g/mol
LogP2.56
Rot. Bonds1

About 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole

2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole (PubChem CID 13271407) has the molecular formula C10H14N2OSi and a molecular weight of 206.32 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole.

Molecular Properties

Compound Name2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole
PubChem CID13271407
Molecular FormulaC10H14N2OSi
Molecular Weight206.32 g/mol
Exact Mass206.09
IUPAC Name2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole
SMILESCC1=NN(c2ccccc2)[Si](C)(C)O1
InChIInChI=1S/C10H14N2OSi/c1-9-11-12(14(2,3)13-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeySGLKFHDZGOXSIX-UHFFFAOYSA-N
XLogP2.56
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole?
The IUPAC name of 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole (CID 13271407) is 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole.
What is the SMILES notation for 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole?
The canonical SMILES for 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole is CC1=NN(c2ccccc2)[Si](C)(C)O1.
What is the InChIKey of 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole?
The InChIKey is SGLKFHDZGOXSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OSi/c1-9-11-12(14(2,3)13-9)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole?
2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole has a molecular weight of 206.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-phenyl-1,3,4,2-oxadiazasilole is sourced from PubChem (CID 13271407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).