3-(1H-indol-5-yl)-1,2,4-oxadiazole

C10H7N3O — CID 67417695

IUPAC3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3ncon3)ccc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-9-7(3-4-11-9)5-8(1)10-12-6-14-13-10/h1-6,11H
InChIKeyUEYYVNYTNCSIHA-UHFFFAOYSA-N
MW185.19 g/mol
LogP2.22
Rot. Bonds1

About 3-(1H-indol-5-yl)-1,2,4-oxadiazole

3-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 67417695) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID67417695
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESc1cc2cc(-c3ncon3)ccc2[nH]1
InChIInChI=1S/C10H7N3O/c1-2-9-7(3-4-11-9)5-8(1)10-12-6-14-13-10/h1-6,11H
InChIKeyUEYYVNYTNCSIHA-UHFFFAOYSA-N
XLogP2.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-5-yl)-1,2,4-oxadiazole 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-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
CID 10355831
5-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
CID 10380005
N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10401626
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 10452058
2-[5-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 11724329
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
CID 11725183
2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 11777180
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 11777228
[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 67417695) is 3-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-5-yl)-1,2,4-oxadiazole is c1cc2cc(-c3ncon3)ccc2[nH]1.
What is the InChIKey of 3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UEYYVNYTNCSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-9-7(3-4-11-9)5-8(1)10-12-6-14-13-10/h1-6,11H.
What are the key properties of 3-(1H-indol-5-yl)-1,2,4-oxadiazole?
3-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 185.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 67417695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).