2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine

C23H26N4O — CID 10452058

IUPAC2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C23H26N4O/c1-27(2)13-12-19-16-24-21-10-8-18(14-20(19)21)9-11-23-25-22(26-28-23)15-17-6-4-3-5-7-17/h3-8,10,14,16,24H,9,11-13,15H2,1-2H3
InChIKeyKYUWHJMADOFUBT-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.03
Rot. Bonds8

About 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine

2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10452058) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID10452058
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C23H26N4O/c1-27(2)13-12-19-16-24-21-10-8-18(14-20(19)21)9-11-23-25-22(26-28-23)15-17-6-4-3-5-7-17/h3-8,10,14,16,24H,9,11-13,15H2,1-2H3
InChIKeyKYUWHJMADOFUBT-UHFFFAOYSA-N
XLogP4.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 10452058) is 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is KYUWHJMADOFUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-27(2)13-12-19-16-24-21-10-8-18(14-20(19)21)9-11-23-25-22(26-28-23)15-17-6-4-3-5-7-17/h3-8,10,14,16,24H,9,11-13,15H2,1-2H3.
What are the key properties of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 374.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10452058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).