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

C17H20N4O — CID 14810798

IUPAC3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCN1CCC(c2nc(-c3cn(C)c4ccccc34)no2)CC1
InChIInChI=1S/C17H20N4O/c1-20-9-7-12(8-10-20)17-18-16(19-22-17)14-11-21(2)15-6-4-3-5-13(14)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWNRLJQZMZLVNLO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds2

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

3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 14810798) 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-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID14810798
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCN1CCC(c2nc(-c3cn(C)c4ccccc34)no2)CC1
InChIInChI=1S/C17H20N4O/c1-20-9-7-12(8-10-20)17-18-16(19-22-17)14-11-21(2)15-6-4-3-5-13(14)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWNRLJQZMZLVNLO-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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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 14810798) is 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole is CN1CCC(c2nc(-c3cn(C)c4ccccc34)no2)CC1.
What is the InChIKey of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is WNRLJQZMZLVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-7-12(8-10-20)17-18-16(19-22-17)14-11-21(2)15-6-4-3-5-13(14)15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-methylindol-3-yl)-5-(1-methylpiperidin-4-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-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).