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

C17H26N4O3 — CID 146040402

IUPAC8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C17H26N4O3/c1-5-17-10-19(8-9-20(17)16(23)24-11-17)15(22)6-7-21-14(4)12(2)13(3)18-21/h5-11H2,1-4H3
InChIKeyLXQIDTVMCVBWFD-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.64
Rot. Bonds4

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

8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146040402) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146040402
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C17H26N4O3/c1-5-17-10-19(8-9-20(17)16(23)24-11-17)15(22)6-7-21-14(4)12(2)13(3)18-21/h5-11H2,1-4H3
InChIKeyLXQIDTVMCVBWFD-UHFFFAOYSA-N
XLogP1.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146040402) is 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(C(=O)CCn1nc(C)c(C)c1C)C2.
What is the InChIKey of 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is LXQIDTVMCVBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-17-10-19(8-9-20(17)16(23)24-11-17)15(22)6-7-21-14(4)12(2)13(3)18-21/h5-11H2,1-4H3.
What are the key properties of 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 334.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146040402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).