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

C8H16N2O — CID 59534690

IUPAC7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCCN1CCN2COCC2C1
InChIInChI=1S/C8H16N2O/c1-2-9-3-4-10-7-11-6-8(10)5-9/h8H,2-7H2,1H3
InChIKeyYIJQTZZMZXOISZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.02
Rot. Bonds1

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

7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (PubChem CID 59534690) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.

Molecular Properties

Compound Name7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
PubChem CID59534690
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCCN1CCN2COCC2C1
InChIInChI=1S/C8H16N2O/c1-2-9-3-4-10-7-11-6-8(10)5-9/h8H,2-7H2,1H3
InChIKeyYIJQTZZMZXOISZ-UHFFFAOYSA-N
XLogP-0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The IUPAC name of 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (CID 59534690) is 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.
What is the SMILES notation for 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The canonical SMILES for 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is CCN1CCN2COCC2C1.
What is the InChIKey of 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The InChIKey is YIJQTZZMZXOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-9-3-4-10-7-11-6-8(10)5-9/h8H,2-7H2,1H3.
What are the key properties of 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine has a molecular weight of 156.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is sourced from PubChem (CID 59534690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).