3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C16H10F5N3O2S — CID 43068627

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 43068627) has the molecular formula C16H10F5N3O2S and a molecular weight of 403.33 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 43068627
• Molecular Formula: C16H10F5N3O2S
• Molecular Weight: 403.33 g/mol
• Exact Mass: 403.04
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc(C(F)(F)F)cs1
• InChI: InChI=1S/C16H10F5N3O2S/c17-8-2-1-3-9(18)14(8)10-6-22-13(26-10)5-4-12(25)24-15-23-11(7-27-15)16(19,20)21/h1-3,6-7H,4-5H2,(H,23,24,25)
• InChIKey: FGLGDCJJBRCJHV-UHFFFAOYSA-N
• XLogP: 4.67
• 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	403.33
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 43068627) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc(C(F)(F)F)cs1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is FGLGDCJJBRCJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O2S/c17-8-2-1-3-9(18)14(8)10-6-22-13(26-10)5-4-12(25)24-15-23-11(7-27-15)16(19,20)21/h1-3,6-7H,4-5H2,(H,23,24,25).

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 403.33 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 43068627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).