5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C19H22N4O — CID 14810806

IUPAC5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCN1C2CCC1CC(c1nc(-c3cn(C)c4ccccc34)no1)C2
InChIInChI=1S/C19H22N4O/c1-22-11-16(15-5-3-4-6-17(15)22)18-20-19(24-21-18)12-9-13-7-8-14(10-12)23(13)2/h3-6,11-14H,7-10H2,1-2H3
InChIKeySISULSPTRQBAKX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.57
Rot. Bonds2

About 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 14810806) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID14810806
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCN1C2CCC1CC(c1nc(-c3cn(C)c4ccccc34)no1)C2
InChIInChI=1S/C19H22N4O/c1-22-11-16(15-5-3-4-6-17(15)22)18-20-19(24-21-18)12-9-13-7-8-14(10-12)23(13)2/h3-6,11-14H,7-10H2,1-2H3
InChIKeySISULSPTRQBAKX-UHFFFAOYSA-N
XLogP3.57
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 14810806) is 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is CN1C2CCC1CC(c1nc(-c3cn(C)c4ccccc34)no1)C2.
What is the InChIKey of 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is SISULSPTRQBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-11-16(15-5-3-4-6-17(15)22)18-20-19(24-21-18)12-9-13-7-8-14(10-12)23(13)2/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 322.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14810806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).