N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide

C17H16N4O2S — CID 7206008

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1
InChIInChI=1S/C17H16N4O2S/c1-11-3-5-13(6-4-11)14-7-8-17(20-19-14)24-10-16(22)18-15-9-12(2)23-21-15/h3-9H,10H2,1-2H3,(H,18,21,22)
InChIKeyYBGIIPJBBGDYFB-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.48
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7206008) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7206008
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1
InChIInChI=1S/C17H16N4O2S/c1-11-3-5-13(6-4-11)14-7-8-17(20-19-14)24-10-16(22)18-15-9-12(2)23-21-15/h3-9H,10H2,1-2H3,(H,18,21,22)
InChIKeyYBGIIPJBBGDYFB-UHFFFAOYSA-N
XLogP3.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7206008) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1ccc(-c2ccc(SCC(=O)Nc3cc(C)on3)nn2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is YBGIIPJBBGDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-3-5-13(6-4-11)14-7-8-17(20-19-14)24-10-16(22)18-15-9-12(2)23-21-15/h3-9H,10H2,1-2H3,(H,18,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 340.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7206008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).