6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

C18H14ClN5O2S — CID 168893332

About 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (PubChem CID 168893332) has the molecular formula C18H14ClN5O2S and a molecular weight of 399.86 g/mol. Its IUPAC name is 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
• PubChem CID: 168893332
• Molecular Formula: C18H14ClN5O2S
• Molecular Weight: 399.86 g/mol
• Exact Mass: 399.06
• IUPAC Name: 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
• SMILES: CCc1ncc(Cn2nc(-c3noc(-c4cccc(Cl)c4)n3)ccc2=O)s1
• InChI: InChI=1S/C18H14ClN5O2S/c1-2-15-20-9-13(27-15)10-24-16(25)7-6-14(22-24)17-21-18(26-23-17)11-4-3-5-12(19)8-11/h3-9H,2,10H2,1H3
• InChIKey: ASJOUZAKEZRLIK-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 86.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.86
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?

The IUPAC name of 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (CID 168893332) is 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.

What is the SMILES notation for 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?

The canonical SMILES for 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is CCc1ncc(Cn2nc(-c3noc(-c4cccc(Cl)c4)n3)ccc2=O)s1.

What is the InChIKey of 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?

The InChIKey is ASJOUZAKEZRLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2S/c1-2-15-20-9-13(27-15)10-24-16(25)7-6-14(22-24)17-21-18(26-23-17)11-4-3-5-12(19)8-11/h3-9H,2,10H2,1H3.

What are the key properties of 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?

6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 399.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 168893332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).