5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole

C23H24N4O3S — CID 90356234

About 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole

5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole (PubChem CID 90356234) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
• PubChem CID: 90356234
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
• SMILES: CC(C)n1ccc2cc(-c3nc(-c4cccc5c4CCCC5NS(=O)O)no3)ccc21
• InChI: InChI=1S/C23H24N4O3S/c1-14(2)27-12-11-15-13-16(9-10-21(15)27)23-24-22(25-30-23)19-7-3-6-18-17(19)5-4-8-20(18)26-31(28)29/h3,6-7,9-14,20,26H,4-5,8H2,1-2H3,(H,28,29)
• InChIKey: COKFJOGEXONYOY-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 93.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?

The IUPAC name of 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole (CID 90356234) is 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?

The canonical SMILES for 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole is CC(C)n1ccc2cc(-c3nc(-c4cccc5c4CCCC5NS(=O)O)no3)ccc21.

What is the InChIKey of 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?

The InChIKey is COKFJOGEXONYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14(2)27-12-11-15-13-16(9-10-21(15)27)23-24-22(25-30-23)19-7-3-6-18-17(19)5-4-8-20(18)26-31(28)29/h3,6-7,9-14,20,26H,4-5,8H2,1-2H3,(H,28,29).

What are the key properties of 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?

5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole has a molecular weight of 436.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-propan-2-ylindol-5-yl)-3-[5-(sulfinoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 90356234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).