2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione

C18H12ClN3O4 — CID 54705383

About 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54705383) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 54705383
• Molecular Formula: C18H12ClN3O4
• Molecular Weight: 369.76 g/mol
• Exact Mass: 369.05
• IUPAC Name: 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
• SMILES: O=c1c(-c2ncco2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O
• InChI: InChI=1S/C18H12ClN3O4/c19-12-3-1-2-11(8-12)9-22-6-5-21-10-13(17-20-4-7-26-17)15(23)16(24)14(21)18(22)25/h1-8,10,24H,9H2
• InChIKey: YOSAEAFXBGVENE-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 89.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.76
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione (CID 54705383) is 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione is O=c1c(-c2ncco2)cn2ccn(Cc3cccc(Cl)c3)c(=O)c2c1O.

What is the InChIKey of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is YOSAEAFXBGVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-12-3-1-2-11(8-12)9-22-6-5-21-10-13(17-20-4-7-26-17)15(23)16(24)14(21)18(22)25/h1-8,10,24H,9H2.

What are the key properties of 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione?

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 369.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1,3-oxazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54705383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).