5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

C23H15F6N3O3 — CID 87974537

About 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 87974537) has the molecular formula C23H15F6N3O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 87974537
• Molecular Formula: C23H15F6N3O3
• Molecular Weight: 495.38 g/mol
• Exact Mass: 495.10
• IUPAC Name: 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
• SMILES: Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C23H15F6N3O3/c24-22(25,26)14-6-4-12(5-7-14)11-31-21(33)18-19(32-35-20(18)30)17-9-8-16(34-17)13-2-1-3-15(10-13)23(27,28)29/h1-10H,11,30H2,(H,31,33)
• InChIKey: GKXUAWDPRZMBTL-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 94.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.38
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 87974537) is 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?

The InChIKey is GKXUAWDPRZMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O3/c24-22(25,26)14-6-4-12(5-7-14)11-31-21(33)18-19(32-35-20(18)30)17-9-8-16(34-17)13-2-1-3-15(10-13)23(27,28)29/h1-10H,11,30H2,(H,31,33).

What are the key properties of 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?

5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 87974537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).