4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide

C19H14F2N4O3 — CID 137313447

About 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide

4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide (PubChem CID 137313447) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
• PubChem CID: 137313447
• Molecular Formula: C19H14F2N4O3
• Molecular Weight: 384.34 g/mol
• Exact Mass: 384.10
• IUPAC Name: 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
• SMILES: O=C(NC(CO)c1nc(-c2cc3cc(F)ccc3[nH]2)no1)c1ccc(F)cc1
• InChI: InChI=1S/C19H14F2N4O3/c20-12-3-1-10(2-4-12)18(27)23-16(9-26)19-24-17(25-28-19)15-8-11-7-13(21)5-6-14(11)22-15/h1-8,16,22,26H,9H2,(H,23,27)
• InChIKey: TYUILMZXZFJCHX-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 104.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.34
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide (CID 137313447) is 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide.

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

The canonical SMILES for 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide is O=C(NC(CO)c1nc(-c2cc3cc(F)ccc3[nH]2)no1)c1ccc(F)cc1.

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

The InChIKey is TYUILMZXZFJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-12-3-1-10(2-4-12)18(27)23-16(9-26)19-24-17(25-28-19)15-8-11-7-13(21)5-6-14(11)22-15/h1-8,16,22,26H,9H2,(H,23,27).

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

4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide has a molecular weight of 384.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 137313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).