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

C7H12N2O2 — CID 45099429

IUPAC7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OCC2C1
InChIInChI=1S/C7H12N2O2/c1-8-2-3-9-6(4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyDLXAVHNRMHRTKL-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.25
Rot. Bonds

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

7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 45099429) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID45099429
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCN1CCN2C(=O)OCC2C1
InChIInChI=1S/C7H12N2O2/c1-8-2-3-9-6(4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyDLXAVHNRMHRTKL-UHFFFAOYSA-N
XLogP-0.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.25
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
Hexahydro-oxazolo[3,4-a]pyrazin-3-one hydrochloride
CID 42614578
(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 23655052
(R)-7-(2-methoxyacetyl)tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 77059097
Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 22562207
(R)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 27282253
(S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one hydrochloride
CID 23655051
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
7,8a-Dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 18685122
7-Methyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 18713062
3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
CID 21847683

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 45099429) is 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CN1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is DLXAVHNRMHRTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-2-3-9-6(4-8)5-11-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 156.18 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 45099429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).