2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol

C23H28N4O4 — CID 123250834

About 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol

2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol (PubChem CID 123250834) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
• PubChem CID: 123250834
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
• SMILES: CNc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1OCCOC
• InChI: InChI=1S/C23H28N4O4/c1-24-20-14-15(6-9-21(20)30-13-12-29-2)23-26-22(27-31-23)18-5-3-4-17-16(18)7-8-19(17)25-10-11-28/h3-6,9,14,19,24-25,28H,7-8,10-13H2,1-2H3
• InChIKey: ZLHLJLLKOOGLIT-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 101.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The IUPAC name of 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol (CID 123250834) is 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The canonical SMILES for 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol is CNc1cc(-c2nc(-c3cccc4c3CCC4NCCO)no2)ccc1OCCOC.

What is the InChIKey of 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

The InChIKey is ZLHLJLLKOOGLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-24-20-14-15(6-9-21(20)30-13-12-29-2)23-26-22(27-31-23)18-5-3-4-17-16(18)7-8-19(17)25-10-11-28/h3-6,9,14,19,24-25,28H,7-8,10-13H2,1-2H3.

What are the key properties of 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol?

2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol has a molecular weight of 424.50 g/mol, XLogP of 3.04, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-[4-(2-methoxyethoxy)-3-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol is sourced from PubChem (CID 123250834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).