2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane

C30H38N2O — CID 157226539

IUPAC2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
SMILESC.C.CCC(C)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C28H30N2O.2CH4/c1-6-19(2)20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-29-30-27(31-26)24-15-17-25(18-16-24)28(3,4)5;;/h7-19H,6H2,1-5H3;2*1H4
InChIKeyATPHORAGKYMOTB-UHFFFAOYSA-N
MW442.65 g/mol
LogP9.15
Rot. Bonds5

About 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane

2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane (PubChem CID 157226539) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane.

Molecular Properties

Compound Name2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
PubChem CID157226539
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC Name2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
SMILESC.C.CCC(C)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C28H30N2O.2CH4/c1-6-19(2)20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-29-30-27(31-26)24-15-17-25(18-16-24)28(3,4)5;;/h7-19H,6H2,1-5H3;2*1H4
InChIKeyATPHORAGKYMOTB-UHFFFAOYSA-N
XLogP9.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane 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-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane?
The IUPAC name of 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane (CID 157226539) is 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane.
What is the SMILES notation for 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane?
The canonical SMILES for 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane is C.C.CCC(C)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane?
The InChIKey is ATPHORAGKYMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O.2CH4/c1-6-19(2)20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-29-30-27(31-26)24-15-17-25(18-16-24)28(3,4)5;;/h7-19H,6H2,1-5H3;2*1H4.
What are the key properties of 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane?
2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane has a molecular weight of 442.65 g/mol, XLogP of 9.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane is sourced from PubChem (CID 157226539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).