(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C15H20N2O2 — CID 174154321

IUPAC(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC[C@H]1[C@H]2COC(=O)N2CCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-13-14-11-19-15(18)17(14)9-8-16(13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyQOABHASXWFDUIM-UONOGXRCSA-N
MW260.34 g/mol
LogP2.10
Rot. Bonds3

About (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 174154321) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID174154321
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC[C@H]1[C@H]2COC(=O)N2CCN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-13-14-11-19-15(18)17(14)9-8-16(13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyQOABHASXWFDUIM-UONOGXRCSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 174154321) is (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC[C@H]1[C@H]2COC(=O)N2CCN1Cc1ccccc1.
What is the InChIKey of (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is QOABHASXWFDUIM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-13-14-11-19-15(18)17(14)9-8-16(13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-7-benzyl-8-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 174154321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).