N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C26H19F2N3O2S — CID 16600650

About N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16600650) has the molecular formula C26H19F2N3O2S and a molecular weight of 475.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16600650
• Molecular Formula: C26H19F2N3O2S
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.12
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(N(C(=O)CCc2ncc(-c3ccccc3F)o2)c2nc3ccccc3s2)cc1F
• InChI: InChI=1S/C26H19F2N3O2S/c1-16-10-11-17(14-20(16)28)31(26-30-21-8-4-5-9-23(21)34-26)25(32)13-12-24-29-15-22(33-24)18-6-2-3-7-19(18)27/h2-11,14-15H,12-13H2,1H3
• InChIKey: GHWZXIQPFUYNFI-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16600650) is N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(N(C(=O)CCc2ncc(-c3ccccc3F)o2)c2nc3ccccc3s2)cc1F.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is GHWZXIQPFUYNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2S/c1-16-10-11-17(14-20(16)28)31(26-30-21-8-4-5-9-23(21)34-26)25(32)13-12-24-29-15-22(33-24)18-6-2-3-7-19(18)27/h2-11,14-15H,12-13H2,1H3.

What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 475.52 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).