8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid

C14H16N2O4 — CID 22293343

IUPAC8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C14H16N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyYTPYJYYGAPXLHO-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.41
Rot. Bonds2

About 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid

8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (PubChem CID 22293343) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
PubChem CID22293343
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C14H16N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyYTPYJYYGAPXLHO-UHFFFAOYSA-N
XLogP1.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (CID 22293343) is 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is O=C(O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The InChIKey is YTPYJYYGAPXLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18).
What are the key properties of 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 22293343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).