3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine

C8H16N2O — CID 21295645

IUPAC3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCC1(C)OCC2CNCCN21
InChIInChI=1S/C8H16N2O/c1-8(2)10-4-3-9-5-7(10)6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyDOZMYMGJEIXXKZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.03
Rot. Bonds

About 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine

3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (PubChem CID 21295645) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.

Molecular Properties

Compound Name3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
PubChem CID21295645
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCC1(C)OCC2CNCCN21
InChIInChI=1S/C8H16N2O/c1-8(2)10-4-3-9-5-7(10)6-11-8/h7,9H,3-6H2,1-2H3
InChIKeyDOZMYMGJEIXXKZ-UHFFFAOYSA-N
XLogP0.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The IUPAC name of 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (CID 21295645) is 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.
What is the SMILES notation for 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The canonical SMILES for 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is CC1(C)OCC2CNCCN21.
What is the InChIKey of 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The InChIKey is DOZMYMGJEIXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)10-4-3-9-5-7(10)6-11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine has a molecular weight of 156.23 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is sourced from PubChem (CID 21295645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).