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

C16H23N3O4 — CID 146040774

IUPAC7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)CCc1c(C)noc1C)C2
InChIInChI=1S/C16H23N3O4/c1-4-16-9-18(7-8-19(16)15(21)22-10-16)14(20)6-5-13-11(2)17-23-12(13)3/h4-10H2,1-3H3
InChIKeyZPWHPLFPDGLOLF-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.67
Rot. Bonds4

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

7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146040774) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146040774
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)CCc1c(C)noc1C)C2
InChIInChI=1S/C16H23N3O4/c1-4-16-9-18(7-8-19(16)15(21)22-10-16)14(20)6-5-13-11(2)17-23-12(13)3/h4-10H2,1-3H3
InChIKeyZPWHPLFPDGLOLF-UHFFFAOYSA-N
XLogP1.67
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-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-(5-pyridin-3-ylpentanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042630
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 71789546
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
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 70754765
7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155880577
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8639159
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90506359
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one
CID 9254485
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 56908437
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 95723108

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146040774) is 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)CCc1c(C)noc1C)C2.
What is the InChIKey of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is ZPWHPLFPDGLOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-4-16-9-18(7-8-19(16)15(21)22-10-16)14(20)6-5-13-11(2)17-23-12(13)3/h4-10H2,1-3H3.
What are the key properties of 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 321.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146040774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).