2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole

C18H18N2O — CID 68937755

IUPAC2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(-c2nnco2)c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)14-9-10-15(13-7-5-4-6-8-13)16(11-14)17-20-19-12-21-17/h4-12H,1-3H3
InChIKeyZGQDXPFGAFRLNA-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.70
Rot. Bonds2

About 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole

2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 68937755) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole
PubChem CID68937755
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(-c2nnco2)c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)14-9-10-15(13-7-5-4-6-8-13)16(11-14)17-20-19-12-21-17/h4-12H,1-3H3
InChIKeyZGQDXPFGAFRLNA-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

Analyze 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole (CID 68937755) is 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2ccccc2)c(-c2nnco2)c1.
What is the InChIKey of 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is ZGQDXPFGAFRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)14-9-10-15(13-7-5-4-6-8-13)16(11-14)17-20-19-12-21-17/h4-12H,1-3H3.
What are the key properties of 2-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole?
2-(5-tert-butyl-2-phenylphenyl)-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-(5-tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 68937755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).