4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

C20H24N4O3 — CID 169412893

About 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (PubChem CID 169412893) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
• PubChem CID: 169412893
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
• SMILES: CCN1CCNC(=O)C1CC(=O)N1CCc2oc(-c3ccccc3)nc2C1
• InChI: InChI=1S/C20H24N4O3/c1-2-23-11-9-21-19(26)16(23)12-18(25)24-10-8-17-15(13-24)22-20(27-17)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3,(H,21,26)
• InChIKey: MISOLDQOKOLGHY-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?

The IUPAC name of 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (CID 169412893) is 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

What is the SMILES notation for 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?

The canonical SMILES for 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is CCN1CCNC(=O)C1CC(=O)N1CCc2oc(-c3ccccc3)nc2C1.

What is the InChIKey of 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?

The InChIKey is MISOLDQOKOLGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-23-11-9-21-19(26)16(23)12-18(25)24-10-8-17-15(13-24)22-20(27-17)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3,(H,21,26).

What are the key properties of 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?

4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 169412893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).