2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

C18H11Cl2F3N2O2 — CID 3007241

About 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 3007241) has the molecular formula C18H11Cl2F3N2O2 and a molecular weight of 415.20 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
• PubChem CID: 3007241
• Molecular Formula: C18H11Cl2F3N2O2
• Molecular Weight: 415.20 g/mol
• Exact Mass: 414.01
• IUPAC Name: 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
• SMILES: O=C(Nc1cccc(-c2cc(-c3ccccc3C(F)(F)F)no2)c1)C(Cl)Cl
• InChI: InChI=1S/C18H11Cl2F3N2O2/c19-16(20)17(26)24-11-5-3-4-10(8-11)15-9-14(25-27-15)12-6-1-2-7-13(12)18(21,22)23/h1-9,16H,(H,24,26)
• InChIKey: WRHJYADIGRMFBS-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.20
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?

The IUPAC name of 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (CID 3007241) is 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

What is the SMILES notation for 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?

The canonical SMILES for 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is O=C(Nc1cccc(-c2cc(-c3ccccc3C(F)(F)F)no2)c1)C(Cl)Cl.

What is the InChIKey of 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?

The InChIKey is WRHJYADIGRMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O2/c19-16(20)17(26)24-11-5-3-4-10(8-11)15-9-14(25-27-15)12-6-1-2-7-13(12)18(21,22)23/h1-9,16H,(H,24,26).

What are the key properties of 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?

2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 415.20 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 3007241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).