N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide

C22H16F2N4O2 — CID 67197551

About N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide

N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 67197551) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
• PubChem CID: 67197551
• Molecular Formula: C22H16F2N4O2
• Molecular Weight: 406.39 g/mol
• Exact Mass: 406.12
• IUPAC Name: N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide
• SMILES: Cc1cc(-c2noc(NC(=O)Cc3cccc(F)c3)c2-c2ccncn2)ccc1F
• InChI: InChI=1S/C22H16F2N4O2/c1-13-9-15(5-6-17(13)24)21-20(18-7-8-25-12-26-18)22(30-28-21)27-19(29)11-14-3-2-4-16(23)10-14/h2-10,12H,11H2,1H3,(H,27,29)
• InChIKey: ZIZVYSZHMJANKQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.39
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide?

The IUPAC name of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide (CID 67197551) is N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide.

What is the SMILES notation for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide?

The canonical SMILES for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide is Cc1cc(-c2noc(NC(=O)Cc3cccc(F)c3)c2-c2ccncn2)ccc1F.

What is the InChIKey of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide?

The InChIKey is ZIZVYSZHMJANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-13-9-15(5-6-17(13)24)21-20(18-7-8-25-12-26-18)22(30-28-21)27-19(29)11-14-3-2-4-16(23)10-14/h2-10,12H,11H2,1H3,(H,27,29).

What are the key properties of N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide?

N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 406.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 67197551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).