[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C22H22N4O3 — CID 90412223

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H22N4O3/c1-14-24-21(29-25-14)17-6-2-3-7-18(17)22(27)26-16-9-10-19(26)15(12-16)13-28-20-8-4-5-11-23-20/h2-8,11,15-16,19H,9-10,12-13H2,1H3
InChIKeyPMLLHOHIKVBONJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.51
Rot. Bonds5

About [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90412223) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90412223
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H22N4O3/c1-14-24-21(29-25-14)17-6-2-3-7-18(17)22(27)26-16-9-10-19(26)15(12-16)13-28-20-8-4-5-11-23-20/h2-8,11,15-16,19H,9-10,12-13H2,1H3
InChIKeyPMLLHOHIKVBONJ-UHFFFAOYSA-N
XLogP3.51
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone 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-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90412223) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is PMLLHOHIKVBONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-24-21(29-25-14)17-6-2-3-7-18(17)22(27)26-16-9-10-19(26)15(12-16)13-28-20-8-4-5-11-23-20/h2-8,11,15-16,19H,9-10,12-13H2,1H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90412223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).