8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C19H24N2O4 — CID 146045008

IUPAC8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(C1CCOCC1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c22-17(16-6-10-24-11-7-16)20-8-9-21-18(23)25-14-19(21,13-20)12-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyWTVFWXWIIIMSSY-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.69
Rot. Bonds3

About 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146045008) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146045008
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(C1CCOCC1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C19H24N2O4/c22-17(16-6-10-24-11-7-16)20-8-9-21-18(23)25-14-19(21,13-20)12-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChIKeyWTVFWXWIIIMSSY-UHFFFAOYSA-N
XLogP1.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

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-(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-(thian-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154815788
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
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-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
8a-ethyl-7-(5-pyridin-3-ylpentanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042630
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146045008) is 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(C1CCOCC1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is WTVFWXWIIIMSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(16-6-10-24-11-7-16)20-8-9-21-18(23)25-14-19(21,13-20)12-15-4-2-1-3-5-15/h1-5,16H,6-14H2.
What are the key properties of 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 344.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146045008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).