5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C17H18N4O — CID 14810800

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C17H18N4O/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/h3-4,6-8,11H,5,9-10H2,1-2H3
InChIKeyGTUVHUQJIQUOGS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds2

About 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810800) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810800
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C17H18N4O/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/h3-4,6-8,11H,5,9-10H2,1-2H3
InChIKeyGTUVHUQJIQUOGS-UHFFFAOYSA-N
XLogP2.95
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810800) is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is CN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is GTUVHUQJIQUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/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/h3-4,6-8,11H,5,9-10H2,1-2H3.
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 294.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).