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

C18H18N2O — CID 150681431

IUPAC2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-12-8-7-11-14(15)17-20-19-16(21-17)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyJHYMABHLGTZLLK-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.70
Rot. Bonds2

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

2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 150681431) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID150681431
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18N2O/c1-18(2,3)15-12-8-7-11-14(15)17-20-19-16(21-17)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyJHYMABHLGTZLLK-UHFFFAOYSA-N
XLogP4.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
methyl 5-(2-tert-butylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618883
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
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-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole (CID 150681431) is 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole is CC(C)(C)c1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JHYMABHLGTZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)15-12-8-7-11-14(15)17-20-19-16(21-17)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole?
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 278.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 150681431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).