2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

C18H11Cl2F3N2O3 — CID 135500133

About 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 135500133) has the molecular formula C18H11Cl2F3N2O3 and a molecular weight of 431.20 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
• PubChem CID: 135500133
• Molecular Formula: C18H11Cl2F3N2O3
• Molecular Weight: 431.20 g/mol
• Exact Mass: 430.01
• IUPAC Name: 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
• SMILES: O=C(Nc1ccc(-c2cc(-c3c(O)cccc3C(F)(F)F)no2)cc1)C(Cl)Cl
• InChI: InChI=1S/C18H11Cl2F3N2O3/c19-16(20)17(27)24-10-6-4-9(5-7-10)14-8-12(25-28-14)15-11(18(21,22)23)2-1-3-13(15)26/h1-8,16,26H,(H,24,27)
• InChIKey: KEGCMFHTRSUFTO-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 75.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.20
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide?

The IUPAC name of 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide (CID 135500133) is 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide.

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

The canonical SMILES for 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is O=C(Nc1ccc(-c2cc(-c3c(O)cccc3C(F)(F)F)no2)cc1)C(Cl)Cl.

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

The InChIKey is KEGCMFHTRSUFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2O3/c19-16(20)17(27)24-10-6-4-9(5-7-10)14-8-12(25-28-14)15-11(18(21,22)23)2-1-3-13(15)26/h1-8,16,26H,(H,24,27).

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

2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 431.20 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[4-[3-[2-hydroxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 135500133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).