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

C10H18N2O2 — CID 58919228

IUPAC7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(C)(C)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3
InChIKeyVTQKQQCXHRRSHE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.92
Rot. Bonds

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

7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 58919228) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID58919228
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(C)(C)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3
InChIKeyVTQKQQCXHRRSHE-UHFFFAOYSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

8a-methyl-hexahydro-1H-(1,3)oxazolo(3,4-a)piperazin-3-one
CID 18685155
N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 75382013
(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
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
1,1,7-Trimethyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 59302724
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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 58919228) is 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC(C)(C)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is VTQKQQCXHRRSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3.
What are the key properties of 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 58919228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).