4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H15FN4O4S — CID 134205430

About 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 134205430) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• PubChem CID: 134205430
• Molecular Formula: C19H15FN4O4S
• Molecular Weight: 414.42 g/mol
• Exact Mass: 414.08
• IUPAC Name: 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• SMILES: COc1ccc2nc(-c3noc(C(CO)NC(=O)c4ccc(F)cc4)n3)sc2c1
• InChI: InChI=1S/C19H15FN4O4S/c1-27-12-6-7-13-15(8-12)29-19(22-13)16-23-18(28-24-16)14(9-25)21-17(26)10-2-4-11(20)5-3-10/h2-8,14,25H,9H2,1H3,(H,21,26)
• InChIKey: BTBRPFXGILDBNN-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.42
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The IUPAC name of 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 134205430) is 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COc1ccc2nc(-c3noc(C(CO)NC(=O)c4ccc(F)cc4)n3)sc2c1.

What is the InChIKey of 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

The InChIKey is BTBRPFXGILDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c1-27-12-6-7-13-15(8-12)29-19(22-13)16-23-18(28-24-16)14(9-25)21-17(26)10-2-4-11(20)5-3-10/h2-8,14,25H,9H2,1H3,(H,21,26).

What are the key properties of 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?

4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 414.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-hydroxy-1-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 134205430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).