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

C22H16F3N3O2S — CID 39220628

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 39220628) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 39220628
• Molecular Formula: C22H16F3N3O2S
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.09
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ncc(Cc2cccc(F)c2)s1
• InChI: InChI=1S/C22H16F3N3O2S/c23-14-3-1-2-13(8-14)9-16-11-27-22(31-16)28-20(29)6-7-21-26-12-19(30-21)17-5-4-15(24)10-18(17)25/h1-5,8,10-12H,6-7,9H2,(H,27,28,29)
• InChIKey: GCKADQRQJQIDID-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 39220628) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

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

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ncc(Cc2cccc(F)c2)s1.

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

The InChIKey is GCKADQRQJQIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-14-3-1-2-13(8-14)9-16-11-27-22(31-16)28-20(29)6-7-21-26-12-19(30-21)17-5-4-15(24)10-18(17)25/h1-5,8,10-12H,6-7,9H2,(H,27,28,29).

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 443.45 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 39220628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).