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

C8H13FN2O2 — CID 130701706

IUPAC7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(CCF)CCN12
InChIInChI=1S/C8H13FN2O2/c9-1-2-10-3-4-11-7(5-10)6-13-8(11)12/h7H,1-6H2
InChIKeyCTLPMKXARPLQMR-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.09
Rot. Bonds2

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

7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 130701706) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID130701706
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(CCF)CCN12
InChIInChI=1S/C8H13FN2O2/c9-1-2-10-3-4-11-7(5-10)6-13-8(11)12/h7H,1-6H2
InChIKeyCTLPMKXARPLQMR-UHFFFAOYSA-N
XLogP0.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(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
3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-
CID 287797
(8aR)-7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 129506727
(8aS)-7-(4,4,4-trifluorobutanoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 129506728
7-(4,4,4-Trifluorobutanoyl)hexahydro[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131946431
7-(2-chloro-2-fluoroacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 166427840
7,8a-Dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 18685122
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

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 130701706) is 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2CN(CCF)CCN12.
What is the InChIKey of 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is CTLPMKXARPLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-1-2-10-3-4-11-7(5-10)6-13-8(11)12/h7H,1-6H2.
What are the key properties of 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 188.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 130701706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).