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

C13H9FN4O2 — CID 83274107

IUPAC6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O
InChIInChI=1S/C13H9FN4O2/c1-18-11(19)7-6-10(16-18)13-15-12(17-20-13)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyYQIAPLVBFFWSPT-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.64
Rot. Bonds2

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

6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one (PubChem CID 83274107) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
PubChem CID83274107
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O
InChIInChI=1S/C13H9FN4O2/c1-18-11(19)7-6-10(16-18)13-15-12(17-20-13)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyYQIAPLVBFFWSPT-UHFFFAOYSA-N
XLogP1.64
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 167862827
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 19324649
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 53018566
6-(3-chlorophenyl)-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridazin-3-one
CID 50843609
3-(4-fluorophenyl)-5-(5-methyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 19326362
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one (CID 83274107) is 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one is Cn1nc(-c2nc(-c3ccc(F)cc3)no2)ccc1=O.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one?
The InChIKey is YQIAPLVBFFWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c1-18-11(19)7-6-10(16-18)13-15-12(17-20-13)8-2-4-9(14)5-3-8/h2-7H,1H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one?
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one has a molecular weight of 272.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 83274107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).