3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

C19H14N4OS — CID 50785978

IUPAC3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C19H14N4OS/c1-3-7-14(8-4-1)16-11-12-18(22-21-16)25-13-17-20-19(23-24-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyJUOOVTALIJOPMJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.49
Rot. Bonds5

About 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 50785978) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID50785978
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1
InChIInChI=1S/C19H14N4OS/c1-3-7-14(8-4-1)16-11-12-18(22-21-16)25-13-17-20-19(23-24-17)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyJUOOVTALIJOPMJ-UHFFFAOYSA-N
XLogP4.49
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 50785978) is 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is c1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1.
What is the InChIKey of 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JUOOVTALIJOPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-3-7-14(8-4-1)16-11-12-18(22-21-16)25-13-17-20-19(23-24-17)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 346.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50785978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).