[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane

C14H23NOSi2 — CID 58835908

IUPAC[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1nc2ccccc2o1)[Si](C)(C)C
InChIInChI=1S/C14H23NOSi2/c1-17(2,3)14(18(4,5)6)13-15-11-9-7-8-10-12(11)16-13/h7-10,14H,1-6H3
InChIKeyKXYFYRUKLYZWHV-UHFFFAOYSA-N
MW277.52 g/mol
LogP4.67
Rot. Bonds3

About [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane

[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane (PubChem CID 58835908) has the molecular formula C14H23NOSi2 and a molecular weight of 277.52 g/mol. Its IUPAC name is [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
PubChem CID58835908
Molecular FormulaC14H23NOSi2
Molecular Weight277.52 g/mol
Exact Mass277.13
IUPAC Name[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1nc2ccccc2o1)[Si](C)(C)C
InChIInChI=1S/C14H23NOSi2/c1-17(2,3)14(18(4,5)6)13-15-11-9-7-8-10-12(11)16-13/h7-10,14H,1-6H3
InChIKeyKXYFYRUKLYZWHV-UHFFFAOYSA-N
XLogP4.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
CID 116999943
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-(1,3-benzoxazol-2-yl)-3,3-dimethylbutanenitrile
CID 70633338
zinc 2-(1,3-benzoxazol-2-yl)butanebis(thioate)
CID 88687444
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 55129005
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)pentan-1-ol
CID 59918149
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449

Frequently Asked Questions

What is the IUPAC name of [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane?
The IUPAC name of [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane (CID 58835908) is [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane.
What is the SMILES notation for [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane?
The canonical SMILES for [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane is C[Si](C)(C)C(c1nc2ccccc2o1)[Si](C)(C)C.
What is the InChIKey of [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane?
The InChIKey is KXYFYRUKLYZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi2/c1-17(2,3)14(18(4,5)6)13-15-11-9-7-8-10-12(11)16-13/h7-10,14H,1-6H3.
What are the key properties of [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane?
[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane has a molecular weight of 277.52 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane is sourced from PubChem (CID 58835908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).