5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole

C14H9BrFN3O3S — CID 58119347

IUPAC5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Br)nn1
InChIInChI=1S/C14H9BrFN3O3S/c1-23(20,21)11-7-6-10(18-19-11)12-13(15)22-14(17-12)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyZBYDUVKLAFNNLC-UHFFFAOYSA-N
MW398.21 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole

5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole (PubChem CID 58119347) has the molecular formula C14H9BrFN3O3S and a molecular weight of 398.21 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole
PubChem CID58119347
Molecular FormulaC14H9BrFN3O3S
Molecular Weight398.21 g/mol
Exact Mass396.95
IUPAC Name5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Br)nn1
InChIInChI=1S/C14H9BrFN3O3S/c1-23(20,21)11-7-6-10(18-19-11)12-13(15)22-14(17-12)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyZBYDUVKLAFNNLC-UHFFFAOYSA-N
XLogP3.10
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole (CID 58119347) is 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole is CS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Br)nn1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole?
The InChIKey is ZBYDUVKLAFNNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O3S/c1-23(20,21)11-7-6-10(18-19-11)12-13(15)22-14(17-12)8-2-4-9(16)5-3-8/h2-7H,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole?
5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole has a molecular weight of 398.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-4-(6-methylsulfonylpyridazin-3-yl)-1,3-oxazole is sourced from PubChem (CID 58119347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).