2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H14N4O — CID 14810844

IUPAC2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCn1cc(-c2noc(CCN)n2)c2ccccc21
InChIInChI=1S/C13H14N4O/c1-17-8-10(9-4-2-3-5-11(9)17)13-15-12(6-7-14)18-16-13/h2-5,8H,6-7,14H2,1H3
InChIKeyAGVLIXYCSVBQRY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 14810844) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID14810844
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCn1cc(-c2noc(CCN)n2)c2ccccc21
InChIInChI=1S/C13H14N4O/c1-17-8-10(9-4-2-3-5-11(9)17)13-15-12(6-7-14)18-16-13/h2-5,8H,6-7,14H2,1H3
InChIKeyAGVLIXYCSVBQRY-UHFFFAOYSA-N
XLogP1.73
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161707308
(2S)-2-[3-(1-decylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161868734
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
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-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
CID 11725183

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 14810844) is 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is Cn1cc(-c2noc(CCN)n2)c2ccccc21.
What is the InChIKey of 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is AGVLIXYCSVBQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17-8-10(9-4-2-3-5-11(9)17)13-15-12(6-7-14)18-16-13/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 242.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 14810844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).