2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol

C24H28N4O4 — CID 25110392

IUPAC2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CN(C)CCO)c34)no2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-4-30-20-10-9-16(13-21(20)31-5-2)24-26-23(27-32-24)18-7-6-8-19-22(18)17(14-25-19)15-28(3)11-12-29/h6-10,13-14,25,29H,4-5,11-12,15H2,1-3H3
InChIKeyLTDIZVFEWMRQIP-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.11
Rot. Bonds10

About 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol

2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol (PubChem CID 25110392) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol
PubChem CID25110392
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CN(C)CCO)c34)no2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-4-30-20-10-9-16(13-21(20)31-5-2)24-26-23(27-32-24)18-7-6-8-19-22(18)17(14-25-19)15-28(3)11-12-29/h6-10,13-14,25,29H,4-5,11-12,15H2,1-3H3
InChIKeyLTDIZVFEWMRQIP-UHFFFAOYSA-N
XLogP4.11
TPSA96.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol (CID 25110392) is 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol is CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CN(C)CCO)c34)no2)cc1OCC.
What is the InChIKey of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol?
The InChIKey is LTDIZVFEWMRQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-30-20-10-9-16(13-21(20)31-5-2)24-26-23(27-32-24)18-7-6-8-19-22(18)17(14-25-19)15-28(3)11-12-29/h6-10,13-14,25,29H,4-5,11-12,15H2,1-3H3.
What are the key properties of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol?
2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol has a molecular weight of 436.51 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 25110392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).