5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide

C17H13F4N3O2S — CID 146090228

About 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 146090228) has the molecular formula C17H13F4N3O2S and a molecular weight of 399.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 146090228
• Molecular Formula: C17H13F4N3O2S
• Molecular Weight: 399.37 g/mol
• Exact Mass: 399.07
• IUPAC Name: 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
• SMILES: CCC(NC(=O)c1cc(-c2ccc(F)cc2)on1)c1nc(C(F)(F)F)cs1
• InChI: InChI=1S/C17H13F4N3O2S/c1-2-11(16-23-14(8-27-16)17(19,20)21)22-15(25)12-7-13(26-24-12)9-3-5-10(18)6-4-9/h3-8,11H,2H2,1H3,(H,22,25)
• InChIKey: VMMMBYKVVLZIRU-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.37
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide (CID 146090228) is 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1cc(-c2ccc(F)cc2)on1)c1nc(C(F)(F)F)cs1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide?

The InChIKey is VMMMBYKVVLZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2S/c1-2-11(16-23-14(8-27-16)17(19,20)21)22-15(25)12-7-13(26-24-12)9-3-5-10(18)6-4-9/h3-8,11H,2H2,1H3,(H,22,25).

What are the key properties of 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide?

5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146090228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).