7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine

C12H24N2O — CID 139365222

IUPAC7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCCCC[C@H](C)N1CCN2COCC2C1
InChIInChI=1S/C12H24N2O/c1-3-4-5-11(2)13-6-7-14-10-15-9-12(14)8-13/h11-12H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyYJBZOFCJZICHGY-PXYINDEMSA-N
MW212.34 g/mol
LogP1.54
Rot. Bonds4

About 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine

7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (PubChem CID 139365222) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.

Molecular Properties

Compound Name7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
PubChem CID139365222
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
SMILESCCCC[C@H](C)N1CCN2COCC2C1
InChIInChI=1S/C12H24N2O/c1-3-4-5-11(2)13-6-7-14-10-15-9-12(14)8-13/h11-12H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyYJBZOFCJZICHGY-PXYINDEMSA-N
XLogP1.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The IUPAC name of 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine (CID 139365222) is 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine.
What is the SMILES notation for 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The canonical SMILES for 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is CCCC[C@H](C)N1CCN2COCC2C1.
What is the InChIKey of 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
The InChIKey is YJBZOFCJZICHGY-PXYINDEMSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-11(2)13-6-7-14-10-15-9-12(14)8-13/h11-12H,3-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine?
7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine has a molecular weight of 212.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine is sourced from PubChem (CID 139365222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).