3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

C19H12BrFN4OS — CID 50786062

IUPAC3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(SCc2nc(-c3ccccc3Br)no2)nn1
InChIInChI=1S/C19H12BrFN4OS/c20-14-7-3-1-5-12(14)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)13-6-2-4-8-15(13)21/h1-10H,11H2
InChIKeyFYXPXPFCERGLRS-UHFFFAOYSA-N
MW443.30 g/mol
LogP5.39
Rot. Bonds5

About 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 50786062) has the molecular formula C19H12BrFN4OS and a molecular weight of 443.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID50786062
Molecular FormulaC19H12BrFN4OS
Molecular Weight443.30 g/mol
Exact Mass441.99
IUPAC Name3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1ccc(SCc2nc(-c3ccccc3Br)no2)nn1
InChIInChI=1S/C19H12BrFN4OS/c20-14-7-3-1-5-12(14)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)13-6-2-4-8-15(13)21/h1-10H,11H2
InChIKeyFYXPXPFCERGLRS-UHFFFAOYSA-N
XLogP5.39
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phenyl-6-{[(3-phenyl-1,2,4-oxadiazol-5-YL)methyl]sulfanyl}pyridazine
CID 50785978
3-(4-Fluorophenyl)-6-[({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
CID 46329575
3-(4-Fluorophenyl)-6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
CID 46329579
3-(2-Fluorophenyl)-6-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyridazine
CID 46329620
3-(3-Bromo-4-fluorophenyl)-5-(((6-(2-fluorophenyl)pyridazin-3-yl)thio)methyl)-1,2,4-oxadiazole
CID 46507443
3-(2-Fluorophenyl)-6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)pyridazine
CID 50743322
3-(3-Chloro-4-fluorophenyl)-5-(((6-(2-fluorophenyl)pyridazin-3-yl)thio)methyl)-1,2,4-oxadiazole
CID 50743372
3-(3-Chlorophenyl)-6-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)pyridazine
CID 50785893
3-({[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)-6-(4-fluorophenyl)pyridazine
CID 50785897
3-(4-Fluorophenyl)-5-(((6-(4-fluorophenyl)pyridazin-3-yl)thio)methyl)-1,2,4-oxadiazole
CID 50785927
3-({[3-(3-Bromophenyl)-1,2,4-oxadiazol-5-YL]methyl}sulfanyl)-6-(4-fluorophenyl)pyridazine
CID 50785966
3-(2-Fluorophenyl)-6-{[(3-phenyl-1,2,4-oxadiazol-5-YL)methyl]sulfanyl}pyridazine
CID 50785968

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 50786062) is 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is Fc1ccccc1-c1ccc(SCc2nc(-c3ccccc3Br)no2)nn1.
What is the InChIKey of 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is FYXPXPFCERGLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4OS/c20-14-7-3-1-5-12(14)19-22-17(26-25-19)11-27-18-10-9-16(23-24-18)13-6-2-4-8-15(13)21/h1-10H,11H2.
What are the key properties of 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole?
3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 443.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-[[6-(2-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50786062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).