3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C12H9FN4O — CID 94069286

IUPAC3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3cccc(F)c3)no2)n[nH]1
InChIInChI=1S/C12H9FN4O/c1-7-5-10(16-15-7)12-14-11(17-18-12)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16)
InChIKeyFIJQEZAYAHITRV-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 94069286) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID94069286
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3cccc(F)c3)no2)n[nH]1
InChIInChI=1S/C12H9FN4O/c1-7-5-10(16-15-7)12-14-11(17-18-12)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16)
InChIKeyFIJQEZAYAHITRV-UHFFFAOYSA-N
XLogP2.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43514855
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 94069176
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 42585031
N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 58538793
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 94069286) is 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3cccc(F)c3)no2)n[nH]1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is FIJQEZAYAHITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-7-5-10(16-15-7)12-14-11(17-18-12)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 244.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).