N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide

C19H13Cl2F5N2O2 — CID 53477083

About N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide

N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide (PubChem CID 53477083) has the molecular formula C19H13Cl2F5N2O2 and a molecular weight of 467.22 g/mol. Its IUPAC name is N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide
• PubChem CID: 53477083
• Molecular Formula: C19H13Cl2F5N2O2
• Molecular Weight: 467.22 g/mol
• Exact Mass: 466.03
• IUPAC Name: N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide
• SMILES: CC(=O)NCc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1F
• InChI: InChI=1S/C19H13Cl2F5N2O2/c1-9(29)27-8-11-4-10(2-3-15(11)22)16-7-18(30-28-16,19(24,25)26)12-5-13(20)17(23)14(21)6-12/h2-6H,7-8H2,1H3,(H,27,29)
• InChIKey: NQNWCNFFIWWYGR-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.22
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

The IUPAC name of N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide (CID 53477083) is N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide.

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

The canonical SMILES for N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide is CC(=O)NCc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1F.

What is the InChIKey of N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide?

The InChIKey is NQNWCNFFIWWYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F5N2O2/c1-9(29)27-8-11-4-10(2-3-15(11)22)16-7-18(30-28-16,19(24,25)26)12-5-13(20)17(23)14(21)6-12/h2-6H,7-8H2,1H3,(H,27,29).

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

N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide has a molecular weight of 467.22 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 53477083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).