trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane

C12H21N3OSi — CID 90255589

IUPACtrimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane
SMILESCC(C)C1COC(c2cnn([Si](C)(C)C)c2)=N1
InChIInChI=1S/C12H21N3OSi/c1-9(2)11-8-16-12(14-11)10-6-13-15(7-10)17(3,4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyDLCIHWHALOXGJU-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.37
Rot. Bonds3

About trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane

trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane (PubChem CID 90255589) has the molecular formula C12H21N3OSi and a molecular weight of 251.41 g/mol. Its IUPAC name is trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane
PubChem CID90255589
Molecular FormulaC12H21N3OSi
Molecular Weight251.41 g/mol
Exact Mass251.15
IUPAC Nametrimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane
SMILESCC(C)C1COC(c2cnn([Si](C)(C)C)c2)=N1
InChIInChI=1S/C12H21N3OSi/c1-9(2)11-8-16-12(14-11)10-6-13-15(7-10)17(3,4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyDLCIHWHALOXGJU-UHFFFAOYSA-N
XLogP2.37
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.37
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-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane?
The IUPAC name of trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane (CID 90255589) is trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane.
What is the SMILES notation for trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane?
The canonical SMILES for trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane is CC(C)C1COC(c2cnn([Si](C)(C)C)c2)=N1.
What is the InChIKey of trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane?
The InChIKey is DLCIHWHALOXGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OSi/c1-9(2)11-8-16-12(14-11)10-6-13-15(7-10)17(3,4)5/h6-7,9,11H,8H2,1-5H3.
What are the key properties of trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane?
trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane has a molecular weight of 251.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane is sourced from PubChem (CID 90255589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).