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

C14H14N2O4 — CID 22712905

IUPAC8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1C=CN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C14H14N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)
InChIKeyQBOVGZCQBSWEOI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.88
Rot. Bonds2

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

8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (PubChem CID 22712905) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
PubChem CID22712905
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1C=CN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C14H14N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)
InChIKeyQBOVGZCQBSWEOI-UHFFFAOYSA-N
XLogP1.88
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8a-benzyl-7-(thian-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154815788
8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045008
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915
2-(8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)benzonitrile
CID 146042629
8a-benzyl-7-[4-(difluoromethoxy)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038722
8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038678
8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038513
8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154571719
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146043345
(1R,5S)-1-benzyl-3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 135148628
8a-benzyl-7-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid (CID 22712905) is 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is O=C(O)N1C=CN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
The InChIKey is QBOVGZCQBSWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12(18)15-6-7-16-13(19)20-10-14(16,9-15)8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18).
What are the key properties of 8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid?
8a-benzyl-3-oxo-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.88, 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-1,8-dihydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 22712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).