2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C18H19N5O2 — CID 175644146

About 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 175644146) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
• PubChem CID: 175644146
• Molecular Formula: C18H19N5O2
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.15
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
• SMILES: Cc1cc(CC(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)on1
• InChI: InChI=1S/C18H19N5O2/c1-12-8-15(25-21-12)9-17(24)22-10-13(2)23-16(11-22)19-20-18(23)14-6-4-3-5-7-14/h3-8,13H,9-11H2,1-2H3/t13-/m0/s1
• InChIKey: UGEFXEZDZUCWPH-ZDUSSCGKSA-N
• XLogP: 2.39
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 175644146) is 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is Cc1cc(CC(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?

The InChIKey is UGEFXEZDZUCWPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-8-15(25-21-12)9-17(24)22-10-13(2)23-16(11-22)19-20-18(23)14-6-4-3-5-7-14/h3-8,13H,9-11H2,1-2H3/t13-/m0/s1.

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?

2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 175644146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).