2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole

C22H20N4O2 — CID 640283

IUPAC2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(C)c(-c2nnc(/C=C/c3nnc(-c4cc(C)ccc4C)o3)o2)c1
InChIInChI=1S/C22H20N4O2/c1-13-5-7-15(3)17(11-13)21-25-23-19(27-21)9-10-20-24-26-22(28-20)18-12-14(2)6-8-16(18)4/h5-12H,1-4H3/b10-9+
InChIKeyWJRZZVHTHYEZPQ-MDZDMXLPSA-N
MW372.43 g/mol
LogP5.19
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole

2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 640283) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole
PubChem CID640283
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole
SMILESCc1ccc(C)c(-c2nnc(/C=C/c3nnc(-c4cc(C)ccc4C)o3)o2)c1
InChIInChI=1S/C22H20N4O2/c1-13-5-7-15(3)17(11-13)21-25-23-19(27-21)9-10-20-24-26-22(28-20)18-12-14(2)6-8-16(18)4/h5-12H,1-4H3/b10-9+
InChIKeyWJRZZVHTHYEZPQ-MDZDMXLPSA-N
XLogP5.19
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole (CID 640283) is 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole is Cc1ccc(C)c(-c2nnc(/C=C/c3nnc(-c4cc(C)ccc4C)o3)o2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is WJRZZVHTHYEZPQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-5-7-15(3)17(11-13)21-25-23-19(27-21)9-10-20-24-26-22(28-20)18-12-14(2)6-8-16(18)4/h5-12H,1-4H3/b10-9+.
What are the key properties of 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole?
2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 372.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-[(E)-2-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 640283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).