4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C26H25N3O3 — CID 2799995

About 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 2799995) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• PubChem CID: 2799995
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• SMILES: COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)o2)c1
• InChI: InChI=1S/C26H25N3O3/c1-26(2,3)19-14-12-17(13-15-19)23(30)27-22-11-6-5-10-21(22)25-29-28-24(32-25)18-8-7-9-20(16-18)31-4/h5-16H,1-4H3,(H,27,30)
• InChIKey: UBEUYJVJYKCJHJ-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 2799995) is 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)o2)c1.

What is the InChIKey of 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The InChIKey is UBEUYJVJYKCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-26(2,3)19-14-12-17(13-15-19)23(30)27-22-11-6-5-10-21(22)25-29-28-24(32-25)18-8-7-9-20(16-18)31-4/h5-16H,1-4H3,(H,27,30).

What are the key properties of 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 2799995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).