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

C22H20N4O3 — CID 172898296

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

5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 172898296) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 172898296
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NC(C)c3nc(-c4ccccc4)no3)no2)cc1C
• InChI: InChI=1S/C22H20N4O3/c1-13-9-10-17(11-14(13)2)19-12-18(25-28-19)21(27)23-15(3)22-24-20(26-29-22)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,23,27)
• InChIKey: GXLWWHKMVGFMNG-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 172898296) is 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)c3nc(-c4ccccc4)no3)no2)cc1C.

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

The InChIKey is GXLWWHKMVGFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-9-10-17(11-14(13)2)19-12-18(25-28-19)21(27)23-15(3)22-24-20(26-29-22)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,23,27).

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

5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 172898296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).