6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C19H12BrFN4O2 — CID 30850166

IUPAC6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12BrFN4O2/c20-14-5-1-12(2-6-14)16-9-10-18(26)25(23-16)11-17-22-19(24-27-17)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyWFTQGQKFURISNE-UHFFFAOYSA-N
MW427.23 g/mol
LogP3.91
Rot. Bonds4

About 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 30850166) has the molecular formula C19H12BrFN4O2 and a molecular weight of 427.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID30850166
Molecular FormulaC19H12BrFN4O2
Molecular Weight427.23 g/mol
Exact Mass426.01
IUPAC Name6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H12BrFN4O2/c20-14-5-1-12(2-6-14)16-9-10-18(26)25(23-16)11-17-22-19(24-27-17)13-3-7-15(21)8-4-13/h1-10H,11H2
InChIKeyWFTQGQKFURISNE-UHFFFAOYSA-N
XLogP3.91
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077309
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316
6-(4-bromophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077308
6-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077269
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 87023120
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 146079024
2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077354
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
2-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 27375095
2-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077352
6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7663425

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 30850166) is 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccc(Br)cc2)nn1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is WFTQGQKFURISNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN4O2/c20-14-5-1-12(2-6-14)16-9-10-18(26)25(23-16)11-17-22-19(24-27-17)13-3-7-15(21)8-4-13/h1-10H,11H2.
What are the key properties of 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 427.23 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 30850166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).