[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C23H24N4O3 — CID 90411726

IUPAC[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1
InChIInChI=1S/C23H24N4O3/c1-14-6-8-18(20-11-15(2)26-30-20)22(25-14)23(28)27-17-7-9-19(27)16(12-17)13-29-21-5-3-4-10-24-21/h3-6,8,10-11,16-17,19H,7,9,12-13H2,1-2H3
InChIKeyJTXJTKWEAOZLMZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.82
Rot. Bonds5

About [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90411726) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90411726
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1
InChIInChI=1S/C23H24N4O3/c1-14-6-8-18(20-11-15(2)26-30-20)22(25-14)23(28)27-17-7-9-19(27)16(12-17)13-29-21-5-3-4-10-24-21/h3-6,8,10-11,16-17,19H,7,9,12-13H2,1-2H3
InChIKeyJTXJTKWEAOZLMZ-UHFFFAOYSA-N
XLogP3.82
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90411726) is [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)on1.
What is the InChIKey of [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is JTXJTKWEAOZLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-6-8-18(20-11-15(2)26-30-20)22(25-14)23(28)27-17-7-9-19(27)16(12-17)13-29-21-5-3-4-10-24-21/h3-6,8,10-11,16-17,19H,7,9,12-13H2,1-2H3.
What are the key properties of [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90411726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).