3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole

C16H13N5OS — CID 42623250

IUPAC3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C16H13N5OS/c1-23-10-15-19-16(20-22-15)12-5-2-4-11(8-12)13-9-21-14(18-13)6-3-7-17-21/h2-9H,10H2,1H3
InChIKeyQJQRWLCIESXICZ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.31
Rot. Bonds4

About 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole

3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 42623250) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID42623250
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1
InChIInChI=1S/C16H13N5OS/c1-23-10-15-19-16(20-22-15)12-5-2-4-11(8-12)13-9-21-14(18-13)6-3-7-17-21/h2-9H,10H2,1H3
InChIKeyQJQRWLCIESXICZ-UHFFFAOYSA-N
XLogP3.31
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole (CID 42623250) is 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole is CSCc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1.
What is the InChIKey of 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is QJQRWLCIESXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-23-10-15-19-16(20-22-15)12-5-2-4-11(8-12)13-9-21-14(18-13)6-3-7-17-21/h2-9H,10H2,1H3.
What are the key properties of 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole?
3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 323.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(methylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42623250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).