7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C8H14N2O2 — CID 18685122

IUPAC7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C8H14N2O2/c1-8-5-9(2)3-4-10(8)7(11)12-6-8/h3-6H2,1-2H3
InChIKeyFCJVDAQMCNOWNV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.14
Rot. Bonds

About 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 18685122) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID18685122
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C8H14N2O2/c1-8-5-9(2)3-4-10(8)7(11)12-6-8/h3-6H2,1-2H3
InChIKeyFCJVDAQMCNOWNV-UHFFFAOYSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8a-methyl-hexahydro-1H-(1,3)oxazolo(3,4-a)piperazin-3-one
CID 18685155
(R)-7-(2-methoxyacetyl)tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 77059097
3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-
CID 287797
7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130701706
3,3a,5-Trimethyl-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 18685002
3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
CID 21847683
7-Methylhexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 45099429
7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 58919228
tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 59671544
tert-butyl4-methylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate
CID 67992742
Tert-butyl 4-ethyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 68019255
(R)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 68452233

Frequently Asked Questions

What is the IUPAC name of 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 18685122) is 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CN1CCN2C(=O)OCC2(C)C1.
What is the InChIKey of 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FCJVDAQMCNOWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8-5-9(2)3-4-10(8)7(11)12-6-8/h3-6H2,1-2H3.
What are the key properties of 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 18685122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).