5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

C40H29N9O5 — CID 170523894

About 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 170523894) has the molecular formula C40H29N9O5 and a molecular weight of 715.73 g/mol. Its IUPAC name is 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
• PubChem CID: 170523894
• Molecular Formula: C40H29N9O5
• Molecular Weight: 715.73 g/mol
• Exact Mass: 715.23
• IUPAC Name: 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
• SMILES: CCCCc1nc(-c2cccc(-c3coc(-c4cccc(-c5nc(-c6cccc(-c7noc(-c8cccc(-c9nc(C)no9)c8)n7)c6)no5)c4)n3)c2)no1
• InChI: InChI=1S/C40H29N9O5/c1-3-4-17-33-43-34(47-51-33)25-10-5-9-24(18-25)32-22-50-37(42-32)28-13-7-15-30(20-28)39-44-35(48-53-39)26-11-6-12-27(19-26)36-45-40(54-49-36)31-16-8-14-29(21-31)38-41-23(2)46-52-38/h5-16,18-22H,3-4,17H2,1-2H3
• InChIKey: WWTPLDWXFAPEDM-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 181.71 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	715.73
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 170523894) is 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is CCCCc1nc(-c2cccc(-c3coc(-c4cccc(-c5nc(-c6cccc(-c7noc(-c8cccc(-c9nc(C)no9)c8)n7)c6)no5)c4)n3)c2)no1.

What is the InChIKey of 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?

The InChIKey is WWTPLDWXFAPEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N9O5/c1-3-4-17-33-43-34(47-51-33)25-10-5-9-24(18-25)32-22-50-37(42-32)28-13-7-15-30(20-28)39-44-35(48-53-39)26-11-6-12-27(19-26)36-45-40(54-49-36)31-16-8-14-29(21-31)38-41-23(2)46-52-38/h5-16,18-22H,3-4,17H2,1-2H3.

What are the key properties of 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?

5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 715.73 g/mol, XLogP of 9.19, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazol-2-yl]phenyl]-3-[3-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 170523894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).