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

C6H12N2O — CID 22562200

IUPAC3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine
SMILESC1CN2COCC2CN1
InChIInChI=1S/C6H12N2O/c1-2-8-5-9-4-6(8)3-7-1/h6-7H,1-5H2
InChIKeyRXMJVYSYPBWRSI-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.75
Rot. Bonds

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

3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine (PubChem CID 22562200) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine
PubChem CID22562200
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine
SMILESC1CN2COCC2CN1
InChIInChI=1S/C6H12N2O/c1-2-8-5-9-4-6(8)3-7-1/h6-7H,1-5H2
InChIKeyRXMJVYSYPBWRSI-UHFFFAOYSA-N
XLogP-0.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine (CID 22562200) is 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine is C1CN2COCC2CN1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine?
The InChIKey is RXMJVYSYPBWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-8-5-9-4-6(8)3-7-1/h6-7H,1-5H2.
What are the key properties of 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine?
3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine has a molecular weight of 128.18 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyrazine is sourced from PubChem (CID 22562200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).