2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde

C13H19NO3Si — CID 10015733

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde
SMILESCC1(C)COC(c2oc([Si](C)(C)C)cc2C=O)=N1
InChIInChI=1S/C13H19NO3Si/c1-13(2)8-16-12(14-13)11-9(7-15)6-10(17-11)18(3,4)5/h6-7H,8H2,1-5H3
InChIKeyPFXMOHQRFRYXHZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds3

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde (PubChem CID 10015733) has the molecular formula C13H19NO3Si and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde
PubChem CID10015733
Molecular FormulaC13H19NO3Si
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde
SMILESCC1(C)COC(c2oc([Si](C)(C)C)cc2C=O)=N1
InChIInChI=1S/C13H19NO3Si/c1-13(2)8-16-12(14-13)11-9(7-15)6-10(17-11)18(3,4)5/h6-7H,8H2,1-5H3
InChIKeyPFXMOHQRFRYXHZ-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde (CID 10015733) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde is CC1(C)COC(c2oc([Si](C)(C)C)cc2C=O)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde?
The InChIKey is PFXMOHQRFRYXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3Si/c1-13(2)8-16-12(14-13)11-9(7-15)6-10(17-11)18(3,4)5/h6-7H,8H2,1-5H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde has a molecular weight of 265.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-trimethylsilylfuran-3-carbaldehyde is sourced from PubChem (CID 10015733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).