8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C17H22N2O4 — CID 154566446

IUPAC8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)COCc1ccccc1)C2
InChIInChI=1S/C17H22N2O4/c1-2-17-12-18(8-9-19(17)16(21)23-13-17)15(20)11-22-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyCLCZFRJMRKXFEP-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.65
Rot. Bonds5

About 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 154566446) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID154566446
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)COCc1ccccc1)C2
InChIInChI=1S/C17H22N2O4/c1-2-17-12-18(8-9-19(17)16(21)23-13-17)15(20)11-22-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyCLCZFRJMRKXFEP-UHFFFAOYSA-N
XLogP1.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

8a-ethyl-7-[2-(2-oxo-1-pyridinyl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044620
8a-ethyl-7-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038617
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
8a-benzyl-7-(oxane-4-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045008
1-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 97156480
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 72854004
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
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 154566446) is 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)COCc1ccccc1)C2.
What is the InChIKey of 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is CLCZFRJMRKXFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-17-12-18(8-9-19(17)16(21)23-13-17)15(20)11-22-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 318.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-(2-phenylmethoxyacetyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 154566446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).