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

C15H13N5O2S — CID 7207397

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)no1
InChIInChI=1S/C15H13N5O2S/c1-10-8-13(20-22-10)17-14(21)9-23-15-6-5-12(18-19-15)11-4-2-3-7-16-11/h2-8H,9H2,1H3,(H,17,20,21)
InChIKeyUSWDHCOZXXTZFE-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.57
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207397) 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-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207397
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)no1
InChIInChI=1S/C15H13N5O2S/c1-10-8-13(20-22-10)17-14(21)9-23-15-6-5-12(18-19-15)11-4-2-3-7-16-11/h2-8H,9H2,1H3,(H,17,20,21)
InChIKeyUSWDHCOZXXTZFE-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207397) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(-c3ccccn3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is USWDHCOZXXTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10-8-13(20-22-10)17-14(21)9-23-15-6-5-12(18-19-15)11-4-2-3-7-16-11/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-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-pyridin-2-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-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).