2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

C21H21F3N4O2 — CID 66968381

About 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (PubChem CID 66968381) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 66968381
• Molecular Formula: C21H21F3N4O2
• Molecular Weight: 418.42 g/mol
• Exact Mass: 418.16
• IUPAC Name: 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
• SMILES: CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3C(F)(F)F)cc2)no1
• InChI: InChI=1S/C21H21F3N4O2/c1-20(2,3)15-11-17(28-30-15)27-18(29)10-12-4-6-13(7-5-12)14-8-9-16(25)26-19(14)21(22,23)24/h4-9,11H,10H2,1-3H3,(H2,25,26)(H,27,28,29)
• InChIKey: DJPBUNWHGWVBNO-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.42
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide (CID 66968381) is 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3ccc(N)nc3C(F)(F)F)cc2)no1.

What is the InChIKey of 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is DJPBUNWHGWVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-20(2,3)15-11-17(28-30-15)27-18(29)10-12-4-6-13(7-5-12)14-8-9-16(25)26-19(14)21(22,23)24/h4-9,11H,10H2,1-3H3,(H2,25,26)(H,27,28,29).

What are the key properties of 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide?

2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 418.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 66968381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).