2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide

C22H23F3N4O3 — CID 112807383

About 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 112807383) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide
• PubChem CID: 112807383
• Molecular Formula: C22H23F3N4O3
• Molecular Weight: 448.45 g/mol
• Exact Mass: 448.17
• IUPAC Name: 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide
• SMILES: CCN(CC(=O)Nc1cccc(OC)c1)C(C)c1nc(-c2cccc(C(F)(F)F)c2)no1
• InChI: InChI=1S/C22H23F3N4O3/c1-4-29(13-19(30)26-17-9-6-10-18(12-17)31-3)14(2)21-27-20(28-32-21)15-7-5-8-16(11-15)22(23,24)25/h5-12,14H,4,13H2,1-3H3,(H,26,30)
• InChIKey: KURNOUPPUSOQBW-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.45
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide?

The IUPAC name of 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide (CID 112807383) is 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide?

The canonical SMILES for 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)C(C)c1nc(-c2cccc(C(F)(F)F)c2)no1.

What is the InChIKey of 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide?

The InChIKey is KURNOUPPUSOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-4-29(13-19(30)26-17-9-6-10-18(12-17)31-3)14(2)21-27-20(28-32-21)15-7-5-8-16(11-15)22(23,24)25/h5-12,14H,4,13H2,1-3H3,(H,26,30).

What are the key properties of 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide?

2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 448.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 112807383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).