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

C25H24N2O — CID 58003971

IUPAC2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C25H24N2O/c1-17-6-5-7-21(16-17)18-8-10-19(11-9-18)23-26-27-24(28-23)20-12-14-22(15-13-20)25(2,3)4/h5-16H,1-4H3
InChIKeyHZMLJAXJQIWTEE-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.68
Rot. Bonds3

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

2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 58003971) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID58003971
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1
InChIInChI=1S/C25H24N2O/c1-17-6-5-7-21(16-17)18-8-10-19(11-9-18)23-26-27-24(28-23)20-12-14-22(15-13-20)25(2,3)4/h5-16H,1-4H3
InChIKeyHZMLJAXJQIWTEE-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole (CID 58003971) is 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole is Cc1cccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is HZMLJAXJQIWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-6-5-7-21(16-17)18-8-10-19(11-9-18)23-26-27-24(28-23)20-12-14-22(15-13-20)25(2,3)4/h5-16H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-[4-(3-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-(3-methylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58003971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).