2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C15H19N5O — CID 104743094

IUPAC2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCN1C2CCC1CC(c1noc(-c3ncccc3N)n1)C2
InChIInChI=1S/C15H19N5O/c1-20-10-4-5-11(20)8-9(7-10)14-18-15(21-19-14)13-12(16)3-2-6-17-13/h2-3,6,9-11H,4-5,7-8,16H2,1H3
InChIKeyQVNKVTHCDAOAKM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.05
Rot. Bonds2

About 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104743094) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104743094
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCN1C2CCC1CC(c1noc(-c3ncccc3N)n1)C2
InChIInChI=1S/C15H19N5O/c1-20-10-4-5-11(20)8-9(7-10)14-18-15(21-19-14)13-12(16)3-2-6-17-13/h2-3,6,9-11H,4-5,7-8,16H2,1H3
InChIKeyQVNKVTHCDAOAKM-UHFFFAOYSA-N
XLogP2.05
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104743094) is 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CN1C2CCC1CC(c1noc(-c3ncccc3N)n1)C2.
What is the InChIKey of 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is QVNKVTHCDAOAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20-10-4-5-11(20)8-9(7-10)14-18-15(21-19-14)13-12(16)3-2-6-17-13/h2-3,6,9-11H,4-5,7-8,16H2,1H3.
What are the key properties of 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 104743094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).