8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C13H16N2O2 — CID 22293348

IUPAC8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CNCCN12
InChIInChI=1S/C13H16N2O2/c16-12-15-7-6-14-9-13(15,10-17-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKeyAICOMUPMSHESMZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.02
Rot. Bonds2

About 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 22293348) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID22293348
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CNCCN12
InChIInChI=1S/C13H16N2O2/c16-12-15-7-6-14-9-13(15,10-17-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKeyAICOMUPMSHESMZ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 22293348) is 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2(Cc3ccccc3)CNCCN12.
What is the InChIKey of 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is AICOMUPMSHESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-15-7-6-14-9-13(15,10-17-12)8-11-4-2-1-3-5-11/h1-5,14H,6-10H2.
What are the key properties of 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 22293348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).