2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

C22H24N2O2Se2 — CID 11214314

IUPAC2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2[Se][Se]c2ccccc2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C22H24N2O2Se2/c1-21(2)13-25-19(23-21)15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)20-24-22(3,4)14-26-20/h5-12H,13-14H2,1-4H3
InChIKeyHPHVWGDTODVJRK-UHFFFAOYSA-N
MW506.37 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11214314) has the molecular formula C22H24N2O2Se2 and a molecular weight of 506.37 g/mol. Its IUPAC name is 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11214314
Molecular FormulaC22H24N2O2Se2
Molecular Weight506.37 g/mol
Exact Mass508.02
IUPAC Name2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2[Se][Se]c2ccccc2C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C22H24N2O2Se2/c1-21(2)13-25-19(23-21)15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)20-24-22(3,4)14-26-20/h5-12H,13-14H2,1-4H3
InChIKeyHPHVWGDTODVJRK-UHFFFAOYSA-N
XLogP2.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.37
LogP ≤ 52.07
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 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 11214314) is 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2[Se][Se]c2ccccc2C2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is HPHVWGDTODVJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2Se2/c1-21(2)13-25-19(23-21)15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)20-24-22(3,4)14-26-20/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 506.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11214314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).