N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C15H13N5O2S — CID 7222483

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3cccnc3)nn2)no1
InChIInChI=1S/C15H13N5O2S/c1-10-7-13(20-22-10)17-14(21)9-23-15-5-4-12(18-19-15)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,20,21)
InChIKeyHXCYSVWAHUGYKN-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.57
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222483) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222483
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3cccnc3)nn2)no1
InChIInChI=1S/C15H13N5O2S/c1-10-7-13(20-22-10)17-14(21)9-23-15-5-4-12(18-19-15)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,20,21)
InChIKeyHXCYSVWAHUGYKN-UHFFFAOYSA-N
XLogP2.57
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide
CID 7206008
2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1005238
N-(5-methylisoxazol-3-yl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228051
N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
CID 5310005
N-(5-methylisoxazol-3-yl)-2-((3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310527
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3228050
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205910
2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 660561
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 3690440
2-((6-(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 16916929
2-((6-(4-(1H-imidazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 18573969
N-(3-methylisoxazol-5-yl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 45507476

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222483) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(-c3cccnc3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is HXCYSVWAHUGYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10-7-13(20-22-10)17-14(21)9-23-15-5-4-12(18-19-15)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 327.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).