3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole

C34H34N2O — CID 23379869

IUPAC3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C34H34N2O/c1-33(2,3)29-19-15-25(16-20-29)23-7-11-27(12-8-23)31-35-32(37-36-31)28-13-9-24(10-14-28)26-17-21-30(22-18-26)34(4,5)6/h7-22H,1-6H3
InChIKeyMSIFEBJOLWCMDY-UHFFFAOYSA-N
MW486.66 g/mol
LogP9.33
Rot. Bonds4

About 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole

3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole (PubChem CID 23379869) has the molecular formula C34H34N2O and a molecular weight of 486.66 g/mol. Its IUPAC name is 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
PubChem CID23379869
Molecular FormulaC34H34N2O
Molecular Weight486.66 g/mol
Exact Mass486.27
IUPAC Name3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C34H34N2O/c1-33(2,3)29-19-15-25(16-20-29)23-7-11-27(12-8-23)31-35-32(37-36-31)28-13-9-24(10-14-28)26-17-21-30(22-18-26)34(4,5)6/h7-22H,1-6H3
InChIKeyMSIFEBJOLWCMDY-UHFFFAOYSA-N
XLogP9.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
CID 21231936
3-(4-tert-butylphenyl)-5-[2-[(S)-methylsulfinyl]phenyl]-1,2,4-oxadiazole
CID 40521783
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
5-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 23010425
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole (CID 23379869) is 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole is CC(C)(C)c1ccc(-c2ccc(-c3noc(-c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MSIFEBJOLWCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O/c1-33(2,3)29-19-15-25(16-20-29)23-7-11-27(12-8-23)31-35-32(37-36-31)28-13-9-24(10-14-28)26-17-21-30(22-18-26)34(4,5)6/h7-22H,1-6H3.
What are the key properties of 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole?
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 486.66 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 23379869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).