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

C13H14N4O — CID 14810842

IUPACN-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C13H14N4O/c1-14-7-12-15-13(16-18-12)10-8-17(2)11-6-4-3-5-9(10)11/h3-6,8,14H,7H2,1-2H3
InChIKeyYWQWQCWFRBTDBK-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.95
Rot. Bonds3

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

N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 14810842) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID14810842
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C13H14N4O/c1-14-7-12-15-13(16-18-12)10-8-17(2)11-6-4-3-5-9(10)11/h3-6,8,14H,7H2,1-2H3
InChIKeyYWQWQCWFRBTDBK-UHFFFAOYSA-N
XLogP1.95
TPSA55.88 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 ≤ 51.95
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-[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
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810800

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 14810842) is N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is YWQWQCWFRBTDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-7-12-15-13(16-18-12)10-8-17(2)11-6-4-3-5-9(10)11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 242.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 14810842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).