2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

C20H20N4O — CID 11724329

IUPAC2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(Cc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C20H20N4O/c21-9-8-16-13-22-18-7-6-15(10-17(16)18)12-20-23-19(24-25-20)11-14-4-2-1-3-5-14/h1-7,10,13,22H,8-9,11-12,21H2
InChIKeyNHIRYTRRCNWYFT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.23
Rot. Bonds6

About 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 11724329) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID11724329
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(Cc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C20H20N4O/c21-9-8-16-13-22-18-7-6-15(10-17(16)18)12-20-23-19(24-25-20)11-14-4-2-1-3-5-14/h1-7,10,13,22H,8-9,11-12,21H2
InChIKeyNHIRYTRRCNWYFT-UHFFFAOYSA-N
XLogP3.23
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine
CID 132059
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzenesulfonamide
CID 11742355
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 9980618
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
N-[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (CID 11724329) is 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(Cc3nc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is NHIRYTRRCNWYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-9-8-16-13-22-18-7-6-15(10-17(16)18)12-20-23-19(24-25-20)11-14-4-2-1-3-5-14/h1-7,10,13,22H,8-9,11-12,21H2.
What are the key properties of 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 332.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 11724329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).