5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione

C6H8N2O3 — CID 169488832

IUPAC5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione
SMILESO=C1NCCN2C(=O)OCC12
InChIInChI=1S/C6H8N2O3/c9-5-4-3-11-6(10)8(4)2-1-7-5/h4H,1-3H2,(H,7,9)
InChIKeyRYAIHESTYFMCDX-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.06
Rot. Bonds

About 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione

5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione (PubChem CID 169488832) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione.

Molecular Properties

Compound Name5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione
PubChem CID169488832
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione
SMILESO=C1NCCN2C(=O)OCC12
InChIInChI=1S/C6H8N2O3/c9-5-4-3-11-6(10)8(4)2-1-7-5/h4H,1-3H2,(H,7,9)
InChIKeyRYAIHESTYFMCDX-UHFFFAOYSA-N
XLogP-1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione?
The IUPAC name of 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione (CID 169488832) is 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione.
What is the SMILES notation for 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione?
The canonical SMILES for 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione is O=C1NCCN2C(=O)OCC12.
What is the InChIKey of 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione?
The InChIKey is RYAIHESTYFMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-5-4-3-11-6(10)8(4)2-1-7-5/h4H,1-3H2,(H,7,9).
What are the key properties of 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione?
5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione has a molecular weight of 156.14 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-3,8-dione is sourced from PubChem (CID 169488832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).