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

C25H30N4O4 — CID 25110378

IUPAC2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC(C)(C)CO)c34)no2)cc1OCC
InChIInChI=1S/C25H30N4O4/c1-5-31-20-11-10-16(12-21(20)32-6-2)24-28-23(29-33-24)18-8-7-9-19-22(18)17(13-26-19)14-27-25(3,4)15-30/h7-13,26-27,30H,5-6,14-15H2,1-4H3
InChIKeyQYLXIFLANLBPAY-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.54
Rot. Bonds10

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

2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 25110378) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol
PubChem CID25110378
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol
SMILESCCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC(C)(C)CO)c34)no2)cc1OCC
InChIInChI=1S/C25H30N4O4/c1-5-31-20-11-10-16(12-21(20)32-6-2)24-28-23(29-33-24)18-8-7-9-19-22(18)17(13-26-19)14-27-25(3,4)15-30/h7-13,26-27,30H,5-6,14-15H2,1-4H3
InChIKeyQYLXIFLANLBPAY-UHFFFAOYSA-N
XLogP4.54
TPSA105.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.54
H-Bond Donors ≤ 53
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]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol (CID 25110378) is 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol is CCOc1ccc(-c2nc(-c3cccc4[nH]cc(CNC(C)(C)CO)c34)no2)cc1OCC.
What is the InChIKey of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is QYLXIFLANLBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-5-31-20-11-10-16(12-21(20)32-6-2)24-28-23(29-33-24)18-8-7-9-19-22(18)17(13-26-19)14-27-25(3,4)15-30/h7-13,26-27,30H,5-6,14-15H2,1-4H3.
What are the key properties of 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol?
2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 450.54 g/mol, XLogP of 4.54, 10 rotatable bonds, 3 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]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 25110378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).