N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H14F6N2O2 — CID 76759521

About N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 76759521) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 76759521
• Molecular Formula: C20H14F6N2O2
• Molecular Weight: 428.33 g/mol
• Exact Mass: 428.10
• IUPAC Name: N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1c(F)cc(C(C)NC(=O)c2coc(-c3cccc(C(F)(F)F)c3F)n2)cc1F
• InChI: InChI=1S/C20H14F6N2O2/c1-9-14(21)6-11(7-15(9)22)10(2)27-18(29)16-8-30-19(28-16)12-4-3-5-13(17(12)23)20(24,25)26/h3-8,10H,1-2H3,(H,27,29)
• InChIKey: ADTWXSQOVQCQMR-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 55.13 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	428.33
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 76759521) is N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is Cc1c(F)cc(C(C)NC(=O)c2coc(-c3cccc(C(F)(F)F)c3F)n2)cc1F.

What is the InChIKey of N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is ADTWXSQOVQCQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c1-9-14(21)6-11(7-15(9)22)10(2)27-18(29)16-8-30-19(28-16)12-4-3-5-13(17(12)23)20(24,25)26/h3-8,10H,1-2H3,(H,27,29).

What are the key properties of N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 76759521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).