8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C21H23N3O3 — CID 146040915

About 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146040915) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

• Compound Name: 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
• PubChem CID: 146040915
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
• SMILES: O=C(CCc1ccncc1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
• InChI: InChI=1S/C21H23N3O3/c25-19(7-6-17-8-10-22-11-9-17)23-12-13-24-20(26)27-16-21(24,15-23)14-18-4-2-1-3-5-18/h1-5,8-11H,6-7,12-16H2
• InChIKey: VBWMOOIOGBUTNF-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?

The IUPAC name of 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146040915) is 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

What is the SMILES notation for 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?

The canonical SMILES for 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(CCc1ccncc1)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.

What is the InChIKey of 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?

The InChIKey is VBWMOOIOGBUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19(7-6-17-8-10-22-11-9-17)23-12-13-24-20(26)27-16-21(24,15-23)14-18-4-2-1-3-5-18/h1-5,8-11H,6-7,12-16H2.

What are the key properties of 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?

8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 365.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146040915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).