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

C25H24N2O — CID 142929751

IUPAC2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H24N2O/c1-17-7-5-6-8-22(17)18-9-11-19(12-10-18)23-26-27-24(28-23)20-13-15-21(16-14-20)25(2,3)4/h5-16H,1-4H3
InChIKeyCNOJKVRXDRNEKX-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.68
Rot. Bonds3

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

2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 142929751) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID142929751
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1ccccc1-c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H24N2O/c1-17-7-5-6-8-22(17)18-9-11-19(12-10-18)23-26-27-24(28-23)20-13-15-21(16-14-20)25(2,3)4/h5-16H,1-4H3
InChIKeyCNOJKVRXDRNEKX-UHFFFAOYSA-N
XLogP6.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(4-tert-butylphenyl)phenyl]-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylphenyl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 20801992
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
CID 11767205
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
2-(4-tert-butylphenyl)-5-[4-[5-(3-methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-1,3,4-oxadiazole
CID 135208048
CID 159240823
CID 159240823
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 17171770

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole (CID 142929751) is 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole is Cc1ccccc1-c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is CNOJKVRXDRNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-7-5-6-8-22(17)18-9-11-19(12-10-18)23-26-27-24(28-23)20-13-15-21(16-14-20)25(2,3)4/h5-16H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 368.48 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142929751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).