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

C20H18N4O2 — CID 71923906

IUPACN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25)
InChIKeyPXTWYASBQKZVBJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.63
Rot. Bonds5

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

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide (PubChem CID 71923906) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
PubChem CID71923906
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25)
InChIKeyPXTWYASBQKZVBJ-UHFFFAOYSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide 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
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507884
N-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]acetamide
CID 507904
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
2-[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 11725312
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzenesulfonamide
CID 11742355
5-Methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxylic acid 4-pyridylmethyl amide
CID 135887182
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 71597270
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide (CID 71923906) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide is CC(NC(=O)c1ccc2[nH]ccc2c1)c1noc(Cc2ccccc2)n1.
What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
The InChIKey is PXTWYASBQKZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(19-23-18(26-24-19)11-14-5-3-2-4-6-14)22-20(25)16-7-8-17-15(12-16)9-10-21-17/h2-10,12-13,21H,11H2,1H3,(H,22,25).
What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide?
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71923906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).