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

C22H17F2N3O2S — CID 18286726

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

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 18286726) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• PubChem CID: 18286726
• Molecular Formula: C22H17F2N3O2S
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.10
• IUPAC Name: N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2)o1)Nc1ncc(Cc2ccc(F)c(F)c2)s1
• InChI: InChI=1S/C22H17F2N3O2S/c23-17-7-6-14(11-18(17)24)10-16-12-26-22(30-16)27-20(28)8-9-21-25-13-19(29-21)15-4-2-1-3-5-15/h1-7,11-13H,8-10H2,(H,26,27,28)
• InChIKey: SZIZGOCFBXVWBE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 18286726) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

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

The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1ncc(Cc2ccc(F)c(F)c2)s1.

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

The InChIKey is SZIZGOCFBXVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c23-17-7-6-14(11-18(17)24)10-16-12-26-22(30-16)27-20(28)8-9-21-25-13-19(29-21)15-4-2-1-3-5-15/h1-7,11-13H,8-10H2,(H,26,27,28).

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

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 425.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 18286726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).