1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

C22H30N4O3 — CID 110135504

About 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 110135504) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
• PubChem CID: 110135504
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
• SMILES: Cc1noc(C)c1-c1cncc(CCC2CCCN2C(=O)CC2CCOCC2)n1
• InChI: InChI=1S/C22H30N4O3/c1-15-22(16(2)29-25-15)20-14-23-13-18(24-20)5-6-19-4-3-9-26(19)21(27)12-17-7-10-28-11-8-17/h13-14,17,19H,3-12H2,1-2H3
• InChIKey: GOARYUJIHRFJKX-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 81.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The IUPAC name of 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (CID 110135504) is 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

What is the SMILES notation for 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The canonical SMILES for 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is Cc1noc(C)c1-c1cncc(CCC2CCCN2C(=O)CC2CCOCC2)n1.

What is the InChIKey of 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

The InChIKey is GOARYUJIHRFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-22(16(2)29-25-15)20-14-23-13-18(24-20)5-6-19-4-3-9-26(19)21(27)12-17-7-10-28-11-8-17/h13-14,17,19H,3-12H2,1-2H3.

What are the key properties of 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?

1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 398.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 110135504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).