7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C13H12N4O4 — CID 138809899

IUPAC7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1onc2ncccc12)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C13H12N4O4/c18-12(10-9-2-1-3-14-11(9)15-21-10)16-4-5-17-8(6-16)7-20-13(17)19/h1-3,8H,4-7H2
InChIKeyJATWAEMXZDUUTB-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.50
Rot. Bonds1

About 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 138809899) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID138809899
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1onc2ncccc12)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C13H12N4O4/c18-12(10-9-2-1-3-14-11(9)15-21-10)16-4-5-17-8(6-16)7-20-13(17)19/h1-3,8H,4-7H2
InChIKeyJATWAEMXZDUUTB-UHFFFAOYSA-N
XLogP0.50
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1,2]oxazolo[3,4-b]pyridin-3-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 146046573
7-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 155494740
(8aR)-7-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126441579
7-(3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119067289
(8aR)-7-(2,3,4-trimethoxybenzoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 125177866
(8aS)-7-[2-(4-fluorophenyl)quinoline-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126452583
[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138810806
(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126432958
1-([1,2]oxazolo[3,4-b]pyridin-3-yl)ethanone
CID 71435116
(8aS)-7-[2-(4-phenylmethoxyphenyl)acetyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 167962595
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138808414
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356

Frequently Asked Questions

What is the IUPAC name of 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 138809899) is 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(c1onc2ncccc12)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is JATWAEMXZDUUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-12(10-9-2-1-3-14-11(9)15-21-10)16-4-5-17-8(6-16)7-20-13(17)19/h1-3,8H,4-7H2.
What are the key properties of 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 288.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1,2]oxazolo[3,4-b]pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 138809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).