3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole

C17H20N4O — CID 14810796

IUPAC3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-5-6-12(10-20)17-18-16(19-22-17)14-11-21(2)15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyGWDHSWMICSHSKE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds2

About 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole

3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 14810796) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID14810796
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-5-6-12(10-20)17-18-16(19-22-17)14-11-21(2)15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyGWDHSWMICSHSKE-UHFFFAOYSA-N
XLogP3.04
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 18987407
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
5-[(1R,6S)-2-azabicyclo[2.2.2]octan-6-yl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 57069743
3-(1-methylindol-3-yl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 18987424
5-[(3S)-1-methylpiperidin-3-yl]-3-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 143331174
3-(2-iodophenyl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 99964242
4-(1-methylindol-3-yl)-1-[(3S)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92566868
4-(1-methylindol-3-yl)-1-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110235477
2-[3-(1-undecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 121257008
2-[3-(1-octylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 131965195
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779
(1-methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155806220

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 14810796) is 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole is CN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1.
What is the InChIKey of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is GWDHSWMICSHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-5-6-12(10-20)17-18-16(19-22-17)14-11-21(2)15-8-4-3-7-13(14)15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3.
What are the key properties of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 296.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).