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

C17H18N4O — CID 14810904

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCN1CC=C(c2nnc(-c3cn(C)c4ccccc34)o2)CC1
InChIInChI=1S/C17H18N4O/c1-20-9-7-12(8-10-20)16-18-19-17(22-16)14-11-21(2)15-6-4-3-5-13(14)15/h3-7,11H,8-10H2,1-2H3
InChIKeyIXZGJPLKUPEUEG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds2

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

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (PubChem CID 14810904) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
PubChem CID14810904
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCN1CC=C(c2nnc(-c3cn(C)c4ccccc34)o2)CC1
InChIInChI=1S/C17H18N4O/c1-20-9-7-12(8-10-20)16-18-19-17(22-16)14-11-21(2)15-6-4-3-5-13(14)15/h3-7,11H,8-10H2,1-2H3
InChIKeyIXZGJPLKUPEUEG-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 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (CID 14810904) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is CN1CC=C(c2nnc(-c3cn(C)c4ccccc34)o2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The InChIKey is IXZGJPLKUPEUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20-9-7-12(8-10-20)16-18-19-17(22-16)14-11-21(2)15-6-4-3-5-13(14)15/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-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 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 14810904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).