4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide

C20H19N5O2 — CID 10383965

IUPAC4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-22-19(26)13-4-2-12(3-5-13)18-24-20(27-25-18)14-6-7-17-16(10-14)15(8-9-21)11-23-17/h2-7,10-11,23H,8-9,21H2,1H3,(H,22,26)
InChIKeyUYWUGXNJCFVCQO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.75
Rot. Bonds5

About 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide

4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide (PubChem CID 10383965) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
PubChem CID10383965
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-22-19(26)13-4-2-12(3-5-13)18-24-20(27-25-18)14-6-7-17-16(10-14)15(8-9-21)11-23-17/h2-7,10-11,23H,8-9,21H2,1H3,(H,22,26)
InChIKeyUYWUGXNJCFVCQO-UHFFFAOYSA-N
XLogP2.75
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide (CID 10383965) is 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1.
What is the InChIKey of 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The InChIKey is UYWUGXNJCFVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-22-19(26)13-4-2-12(3-5-13)18-24-20(27-25-18)14-6-7-17-16(10-14)15(8-9-21)11-23-17/h2-7,10-11,23H,8-9,21H2,1H3,(H,22,26).
What are the key properties of 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide has a molecular weight of 361.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 10383965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).