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

C16H14FN5O2 — CID 163319359

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

(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163319359) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• PubChem CID: 163319359
• Molecular Formula: C16H14FN5O2
• Molecular Weight: 327.32 g/mol
• Exact Mass: 327.11
• IUPAC Name: (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• SMILES: C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3cnco3)n21
• InChI: InChI=1S/C16H14FN5O2/c1-10-16(23)21(7-11-3-2-4-12(17)5-11)8-14-19-20-15(22(10)14)13-6-18-9-24-13/h2-6,9-10H,7-8H2,1H3/t10-/m0/s1
• InChIKey: ZPYBRPLVPHQRMY-JTQLQIEISA-N
• XLogP: 2.18
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.32
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163319359) is (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

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

The canonical SMILES for (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3cnco3)n21.

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

The InChIKey is ZPYBRPLVPHQRMY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-10-16(23)21(7-11-3-2-4-12(17)5-11)8-14-19-20-15(22(10)14)13-6-18-9-24-13/h2-6,9-10H,7-8H2,1H3/t10-/m0/s1.

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

(5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 327.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(3-fluorophenyl)methyl]-5-methyl-3-(1,3-oxazol-5-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163319359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).