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

C12H12N4O — CID 14810832

IUPAC[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(-c2noc(CN)n2)c2ccccc21
InChIInChI=1S/C12H12N4O/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12/h2-5,7H,6,13H2,1H3
InChIKeyHGUPNPBJRNMJIH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.69
Rot. Bonds2

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

[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 14810832) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID14810832
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCn1cc(-c2noc(CN)n2)c2ccccc21
InChIInChI=1S/C12H12N4O/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12/h2-5,7H,6,13H2,1H3
InChIKeyHGUPNPBJRNMJIH-UHFFFAOYSA-N
XLogP1.69
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.69
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
(2S)-2-[3-(1-nonylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162651780
3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 42571591
(2S)-2-[3-(1-decylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162664253
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-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 10452058
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 14810832) is [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is Cn1cc(-c2noc(CN)n2)c2ccccc21.
What is the InChIKey of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HGUPNPBJRNMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-7-9(8-4-2-3-5-10(8)16)12-14-11(6-13)17-15-12/h2-5,7H,6,13H2,1H3.
What are the key properties of [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 228.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 14810832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).