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

C24H28N4O — CID 11741003

IUPAC2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C24H28N4O/c1-28(2)14-13-20-17-25-22-12-11-19(15-21(20)22)9-6-10-24-26-23(27-29-24)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,17,25H,6,9-10,13-14,16H2,1-2H3
InChIKeyAGJHDCCFMOEMSS-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.42
Rot. Bonds9

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

2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 11741003) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID11741003
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C24H28N4O/c1-28(2)14-13-20-17-25-22-12-11-19(15-21(20)22)9-6-10-24-26-23(27-29-24)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,17,25H,6,9-10,13-14,16H2,1-2H3
InChIKeyAGJHDCCFMOEMSS-UHFFFAOYSA-N
XLogP4.42
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
CID 19022934
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 19023034
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 19023013
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine benzoate
CID 53403364
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 11741003) is 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is AGJHDCCFMOEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-28(2)14-13-20-17-25-22-12-11-19(15-21(20)22)9-6-10-24-26-23(27-29-24)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,17,25H,6,9-10,13-14,16H2,1-2H3.
What are the key properties of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 388.52 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11741003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).