[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C21H25N3O3 — CID 51322251

IUPAC[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12
InChIInChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-24(15)21(25)17-11-18(16-10-12(2)26-14(16)4)22-20-19(17)13(3)23-27-20/h10-11,15H,5-9H2,1-4H3
InChIKeyWBPSCFJJYVSBCU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.81
Rot. Bonds3

About [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 51322251) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID51322251
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12
InChIInChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-24(15)21(25)17-11-18(16-10-12(2)26-14(16)4)22-20-19(17)13(3)23-27-20/h10-11,15H,5-9H2,1-4H3
InChIKeyWBPSCFJJYVSBCU-UHFFFAOYSA-N
XLogP4.81
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 46697274
(3-aminopiperidin-1-yl)-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119379540
4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid
CID 120521695
[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396940
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119649131
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 120660139
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55983289
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 75513695
6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-N-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119442897
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxan-2-yloxy)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130599
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56568829
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119383829

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 51322251) is [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12.
What is the InChIKey of [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is WBPSCFJJYVSBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-24(15)21(25)17-11-18(16-10-12(2)26-14(16)4)22-20-19(17)13(3)23-27-20/h10-11,15H,5-9H2,1-4H3.
What are the key properties of [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 51322251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).