3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide

C22H20N4O4 — CID 51132390

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 51132390) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
• PubChem CID: 51132390
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
• SMILES: COc1ccc(-c2noc(CCC(=O)NCc3cc(-c4ccccc4)on3)n2)cc1
• InChI: InChI=1S/C22H20N4O4/c1-28-18-9-7-16(8-10-18)22-24-21(30-26-22)12-11-20(27)23-14-17-13-19(29-25-17)15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,23,27)
• InChIKey: NGINJSPGKNEVLA-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide (CID 51132390) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide.

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

The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide is COc1ccc(-c2noc(CCC(=O)NCc3cc(-c4ccccc4)on3)n2)cc1.

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

The InChIKey is NGINJSPGKNEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-18-9-7-16(8-10-18)22-24-21(30-26-22)12-11-20(27)23-14-17-13-19(29-25-17)15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,23,27).

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

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 404.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 51132390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).