3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide

C31H31N5O2 — CID 46086557

About 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide

3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide (PubChem CID 46086557) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide
• PubChem CID: 46086557
• Molecular Formula: C31H31N5O2
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.25
• IUPAC Name: 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide
• SMILES: Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC(Cc4ccccc4)c4ccccc4)c3)n2)o1
• InChI: InChI=1S/C31H31N5O2/c1-21-33-34-30(38-21)27-20-28(31(2,3)4)36(35-27)25-17-11-16-24(19-25)29(37)32-26(23-14-9-6-10-15-23)18-22-12-7-5-8-13-22/h5-17,19-20,26H,18H2,1-4H3,(H,32,37)
• InChIKey: FGUOSUOCGCMWHC-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide (CID 46086557) is 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide.

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

The canonical SMILES for 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide is Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC(Cc4ccccc4)c4ccccc4)c3)n2)o1.

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

The InChIKey is FGUOSUOCGCMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-21-33-34-30(38-21)27-20-28(31(2,3)4)36(35-27)25-17-11-16-24(19-25)29(37)32-26(23-14-9-6-10-15-23)18-22-12-7-5-8-13-22/h5-17,19-20,26H,18H2,1-4H3,(H,32,37).

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

3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide has a molecular weight of 505.62 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide is sourced from PubChem (CID 46086557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).