1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone

C21H16F3N5O2S — CID 24734599

About 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone

1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone (PubChem CID 24734599) has the molecular formula C21H16F3N5O2S and a molecular weight of 459.45 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
• PubChem CID: 24734599
• Molecular Formula: C21H16F3N5O2S
• Molecular Weight: 459.45 g/mol
• Exact Mass: 459.10
• IUPAC Name: 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccno1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1
• InChI: InChI=1S/C21H16F3N5O2S/c22-21(23,24)17-2-1-14-18(27-17)15(13-4-10-32-12-13)11-25-19(14)28-6-8-29(9-7-28)20(30)16-3-5-26-31-16/h1-5,10-12H,6-9H2
• InChIKey: OZSGVMFQCFPPIF-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 75.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.45
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?

The IUPAC name of 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone (CID 24734599) is 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone.

What is the SMILES notation for 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?

The canonical SMILES for 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone is O=C(c1ccno1)N1CCN(c2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1.

What is the InChIKey of 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?

The InChIKey is OZSGVMFQCFPPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2S/c22-21(23,24)17-2-1-14-18(27-17)15(13-4-10-32-12-13)11-25-19(14)28-6-8-29(9-7-28)20(30)16-3-5-26-31-16/h1-5,10-12H,6-9H2.

What are the key properties of 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone?

1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone has a molecular weight of 459.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-oxazol-5-yl-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 24734599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).