4,5-bis(4-tert-butylphenyl)oxadiazole

C22H26N2O — CID 21443596

IUPAC4,5-bis(4-tert-butylphenyl)oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnoc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-21(2,3)17-11-7-15(8-12-17)19-20(25-24-23-19)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3
InChIKeyLRMIOYJWGPLOSI-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.00
Rot. Bonds2

About 4,5-bis(4-tert-butylphenyl)oxadiazole

4,5-bis(4-tert-butylphenyl)oxadiazole (PubChem CID 21443596) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4,5-bis(4-tert-butylphenyl)oxadiazole.

Molecular Properties

Compound Name4,5-bis(4-tert-butylphenyl)oxadiazole
PubChem CID21443596
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4,5-bis(4-tert-butylphenyl)oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnoc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-21(2,3)17-11-7-15(8-12-17)19-20(25-24-23-19)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3
InChIKeyLRMIOYJWGPLOSI-UHFFFAOYSA-N
XLogP6.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-tert-butylphenyl)oxadiazole?
The IUPAC name of 4,5-bis(4-tert-butylphenyl)oxadiazole (CID 21443596) is 4,5-bis(4-tert-butylphenyl)oxadiazole.
What is the SMILES notation for 4,5-bis(4-tert-butylphenyl)oxadiazole?
The canonical SMILES for 4,5-bis(4-tert-butylphenyl)oxadiazole is CC(C)(C)c1ccc(-c2nnoc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-tert-butylphenyl)oxadiazole?
The InChIKey is LRMIOYJWGPLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-21(2,3)17-11-7-15(8-12-17)19-20(25-24-23-19)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3.
What are the key properties of 4,5-bis(4-tert-butylphenyl)oxadiazole?
4,5-bis(4-tert-butylphenyl)oxadiazole has a molecular weight of 334.46 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-tert-butylphenyl)oxadiazole is sourced from PubChem (CID 21443596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).