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

C30H32N2O2Se2 — CID 100968970

IUPAC2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2[Se]Cc2cccc(C[Se]c3ccccc3C3=NC(C)(C)CO3)c2)=N1
InChIInChI=1S/C30H32N2O2Se2/c1-29(2)19-33-27(31-29)23-12-5-7-14-25(23)35-17-21-10-9-11-22(16-21)18-36-26-15-8-6-13-24(26)28-32-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3
InChIKeyXCQQQNPQIUOFMC-UHFFFAOYSA-N
MW610.52 g/mol
LogP3.86
Rot. Bonds8

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

2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 100968970) has the molecular formula C30H32N2O2Se2 and a molecular weight of 610.52 g/mol. Its IUPAC name is 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID100968970
Molecular FormulaC30H32N2O2Se2
Molecular Weight610.52 g/mol
Exact Mass612.08
IUPAC Name2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2[Se]Cc2cccc(C[Se]c3ccccc3C3=NC(C)(C)CO3)c2)=N1
InChIInChI=1S/C30H32N2O2Se2/c1-29(2)19-33-27(31-29)23-12-5-7-14-25(23)35-17-21-10-9-11-22(16-21)18-36-26-15-8-6-13-24(26)28-32-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3
InChIKeyXCQQQNPQIUOFMC-UHFFFAOYSA-N
XLogP3.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Related Compounds

4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
1,3-Bis((r)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 24761720
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
2-[1-(3,5-dimethylphenyl)naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 3718820
2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
CID 395641
1,3-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)benzene
CID 11317842
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-iodophenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 71149547
2-[2-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]diselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 11214314
carbon monoxide;chromium;4,4-dimethyl-2-(2-phenylphenyl)-5H-1,3-oxazole
CID 134898910
(4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 11366334
[2-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 12971293

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 100968970) is 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2[Se]Cc2cccc(C[Se]c3ccccc3C3=NC(C)(C)CO3)c2)=N1.
What is the InChIKey of 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XCQQQNPQIUOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2Se2/c1-29(2)19-33-27(31-29)23-12-5-7-14-25(23)35-17-21-10-9-11-22(16-21)18-36-26-15-8-6-13-24(26)28-32-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3.
What are the key properties of 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 610.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]selanylmethyl]phenyl]methylselanyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 100968970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).