2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C31H30Br2N4O2 — CID 71221239

About 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 71221239) has the molecular formula C31H30Br2N4O2 and a molecular weight of 650.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
• PubChem CID: 71221239
• Molecular Formula: C31H30Br2N4O2
• Molecular Weight: 650.42 g/mol
• Exact Mass: 648.07
• IUPAC Name: 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
• SMILES: CCC(C)(C)c1ccc(-c2nnc(-c3cc(Br)c(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3Br)o2)cc1
• InChI: InChI=1S/C31H30Br2N4O2/c1-7-31(5,6)21-14-10-19(11-15-21)27-35-37-29(39-27)23-17-24(32)22(16-25(23)33)28-36-34-26(38-28)18-8-12-20(13-9-18)30(2,3)4/h8-17H,7H2,1-6H3
• InChIKey: GFUWHQQZAQPDPC-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.42
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 71221239) is 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is CCC(C)(C)c1ccc(-c2nnc(-c3cc(Br)c(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3Br)o2)cc1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

The InChIKey is GFUWHQQZAQPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Br2N4O2/c1-7-31(5,6)21-14-10-19(11-15-21)27-35-37-29(39-27)23-17-24(32)22(16-25(23)33)28-36-34-26(38-28)18-8-12-20(13-9-18)30(2,3)4/h8-17H,7H2,1-6H3.

What are the key properties of 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?

2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 650.42 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71221239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).