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

C22H22N4O3 — CID 90411208

IUPAC[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H22N4O3/c1-14-5-7-17(21-24-10-11-28-21)20(25-14)22(27)26-16-6-8-18(26)15(12-16)13-29-19-4-2-3-9-23-19/h2-5,7,9-11,15-16,18H,6,8,12-13H2,1H3
InChIKeyNQBYVOFGRIKFDL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.51
Rot. Bonds5

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

[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90411208) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90411208
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H22N4O3/c1-14-5-7-17(21-24-10-11-28-21)20(25-14)22(27)26-16-6-8-18(26)15(12-16)13-29-19-4-2-3-9-23-19/h2-5,7,9-11,15-16,18H,6,8,12-13H2,1H3
InChIKeyNQBYVOFGRIKFDL-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 [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide
CID 46870679
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411862
[(1S,2R,4R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 90411980
(+/-)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(2-(((5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90412395
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-(furan-2-yl)pyridine-3-carboxamide
CID 124155906
2-[[2,6-bis[5-[5-(1,3-oxazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]-4-pyridinyl]oxy]-N,N-dimethylethanamine
CID 145980871
5-[5-(1,3-Oxazol-5-yl)-2-pyridinyl]-2-[6-[5-[5-(1,3-oxazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]-2-pyridinyl]-1,3-oxazole
CID 145992833
8-N-(1,3-oxazol-2-ylmethyl)-6-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89726191
6-N-(1,3-oxazol-2-ylmethyl)-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89726955
6-[(2R)-2-(6-methoxy-3-pyridinyl)pyrrolidine-1-carbonyl]-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 89734190
(6-Methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411120
[2-[(3-Methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 90411121

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90411208) is [6-methyl-3-(1,3-oxazol-2-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-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.
What is the InChIKey of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is NQBYVOFGRIKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-5-7-17(21-24-10-11-28-21)20(25-14)22(27)26-16-6-8-18(26)15(12-16)13-29-19-4-2-3-9-23-19/h2-5,7,9-11,15-16,18H,6,8,12-13H2,1H3.
What are the key properties of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[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 [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90411208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).