4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole

C12H15NOSe — CID 3517846

IUPAC4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole
SMILESC[Se]c1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H15NOSe/c1-12(2)8-14-11(13-12)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3
InChIKeyVBLDWIYPYVUIMV-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.62
Rot. Bonds2

About 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole

4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole (PubChem CID 3517846) has the molecular formula C12H15NOSe and a molecular weight of 268.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole
PubChem CID3517846
Molecular FormulaC12H15NOSe
Molecular Weight268.22 g/mol
Exact Mass269.03
IUPAC Name4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole
SMILESC[Se]c1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H15NOSe/c1-12(2)8-14-11(13-12)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3
InChIKeyVBLDWIYPYVUIMV-UHFFFAOYSA-N
XLogP1.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole (CID 3517846) is 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole is C[Se]c1ccccc1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole?
The InChIKey is VBLDWIYPYVUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOSe/c1-12(2)8-14-11(13-12)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole has a molecular weight of 268.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole is sourced from PubChem (CID 3517846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).