2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane

C14H23NOSi — CID 135075382

IUPAC2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ncco1)(C(C)C)C(C)C
InChIInChI=1S/C14H23NOSi/c1-11(2)17(12(3)4,13(5)6)10-7-14-15-8-9-16-14/h8-9,11-13H,1-6H3
InChIKeyQSWJBJZOAULBLL-UHFFFAOYSA-N
MW249.43 g/mol
LogP4.24
Rot. Bonds3

About 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane

2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 135075382) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID135075382
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ncco1)(C(C)C)C(C)C
InChIInChI=1S/C14H23NOSi/c1-11(2)17(12(3)4,13(5)6)10-7-14-15-8-9-16-14/h8-9,11-13H,1-6H3
InChIKeyQSWJBJZOAULBLL-UHFFFAOYSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane (CID 135075382) is 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ncco1)(C(C)C)C(C)C.
What is the InChIKey of 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is QSWJBJZOAULBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-11(2)17(12(3)4,13(5)6)10-7-14-15-8-9-16-14/h8-9,11-13H,1-6H3.
What are the key properties of 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 249.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 135075382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).