4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C20H17FN4O4 — CID 137026771

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

4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 137026771) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• PubChem CID: 137026771
• Molecular Formula: C20H17FN4O4
• Molecular Weight: 396.38 g/mol
• Exact Mass: 396.12
• IUPAC Name: 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• SMILES: COc1ccc2[nH]cc(-c3noc([C@H](CO)NC(=O)c4ccc(F)cc4)n3)c2c1
• InChI: InChI=1S/C20H17FN4O4/c1-28-13-6-7-16-14(8-13)15(9-22-16)18-24-20(29-25-18)17(10-26)23-19(27)11-2-4-12(21)5-3-11/h2-9,17,22,26H,10H2,1H3,(H,23,27)/t17-/m0/s1
• InChIKey: XQOOICBNFNKZGY-KRWDZBQOSA-N
• XLogP: 2.83
• TPSA: 113.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.38
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 137026771) is 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COc1ccc2[nH]cc(-c3noc([C@H](CO)NC(=O)c4ccc(F)cc4)n3)c2c1.

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

The InChIKey is XQOOICBNFNKZGY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-28-13-6-7-16-14(8-13)15(9-22-16)18-24-20(29-25-18)17(10-26)23-19(27)11-2-4-12(21)5-3-11/h2-9,17,22,26H,10H2,1H3,(H,23,27)/t17-/m0/s1.

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

4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 396.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 137026771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).