5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide

C22H20N4O4 — CID 73254024

About 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 73254024) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 73254024
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)Nc3ccccc3-c3nc(C(C)C)no3)no2)cc1
• InChI: InChI=1S/C22H20N4O4/c1-13(2)20-24-22(30-26-20)16-6-4-5-7-17(16)23-21(27)18-12-19(29-25-18)14-8-10-15(28-3)11-9-14/h4-13H,1-3H3,(H,23,27)
• InChIKey: LJNLTAUEXZMLPP-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 73254024) is 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3-c3nc(C(C)C)no3)no2)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is LJNLTAUEXZMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13(2)20-24-22(30-26-20)16-6-4-5-7-17(16)23-21(27)18-12-19(29-25-18)14-8-10-15(28-3)11-9-14/h4-13H,1-3H3,(H,23,27).

What are the key properties of 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide?

5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).