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

C16H14N4O2S — CID 3228051

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1
InChIInChI=1S/C16H14N4O2S/c1-11-9-14(20-22-11)17-15(21)10-23-16-8-7-13(18-19-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20,21)
InChIKeyUBBJSRUCDIZSAE-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 3228051) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID3228051
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1
InChIInChI=1S/C16H14N4O2S/c1-11-9-14(20-22-11)17-15(21)10-23-16-8-7-13(18-19-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20,21)
InChIKeyUBBJSRUCDIZSAE-UHFFFAOYSA-N
XLogP3.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 3228051) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is UBBJSRUCDIZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-9-14(20-22-11)17-15(21)10-23-16-8-7-13(18-19-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 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-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 3228051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).