2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H13FN4O2S — CID 3228050

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
InChIKeyCTBXTABAKUKLBE-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.31
Rot. Bonds5

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3228050) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3228050
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)no1
InChIInChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22)
InChIKeyCTBXTABAKUKLBE-UHFFFAOYSA-N
XLogP3.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3228050) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)no1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CTBXTABAKUKLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10-8-14(21-23-10)18-15(22)9-24-16-7-6-13(19-20-16)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,21,22).
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3228050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).