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

C20H15F5N2O3 — CID 58319177

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

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide (PubChem CID 58319177) has the molecular formula C20H15F5N2O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
• PubChem CID: 58319177
• Molecular Formula: C20H15F5N2O3
• Molecular Weight: 426.34 g/mol
• Exact Mass: 426.10
• IUPAC Name: N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
• SMILES: Cc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3ccc(C(F)(F)F)cc3)n2)cc1F
• InChI: InChI=1S/C20H15F5N2O3/c1-10-15(21)7-12(8-16(10)22)11(2)26-18(28)17-9-29-19(27-17)30-14-5-3-13(4-6-14)20(23,24)25/h3-9,11H,1-2H3,(H,26,28)/t11-/m1/s1
• InChIKey: OUJUDYUEBFAGPR-LLVKDONJSA-N
• XLogP: 5.56
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.34
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide (CID 58319177) is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide is Cc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3ccc(C(F)(F)F)cc3)n2)cc1F.

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

The InChIKey is OUJUDYUEBFAGPR-LLVKDONJSA-N. The full InChI is InChI=1S/C20H15F5N2O3/c1-10-15(21)7-12(8-16(10)22)11(2)26-18(28)17-9-29-19(27-17)30-14-5-3-13(4-6-14)20(23,24)25/h3-9,11H,1-2H3,(H,26,28)/t11-/m1/s1.

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

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide has a molecular weight of 426.34 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58319177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).