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

C15H9FN4O — CID 56770576

IUPAC3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C15H9FN4O/c16-10-5-3-4-9(8-10)14-17-15(21-20-14)13-11-6-1-2-7-12(11)18-19-13/h1-8H,(H,18,19)
InChIKeyJFVZTOWGIMLVFJ-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.42
Rot. Bonds2

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

3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (PubChem CID 56770576) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
PubChem CID56770576
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C15H9FN4O/c16-10-5-3-4-9(8-10)14-17-15(21-20-14)13-11-6-1-2-7-12(11)18-19-13/h1-8H,(H,18,19)
InChIKeyJFVZTOWGIMLVFJ-UHFFFAOYSA-N
XLogP3.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole (CID 56770576) is 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(-c3n[nH]c4ccccc34)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is JFVZTOWGIMLVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-10-5-3-4-9(8-10)14-17-15(21-20-14)13-11-6-1-2-7-12(11)18-19-13/h1-8H,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 280.26 g/mol, XLogP of 3.42, 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-(1H-indazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 56770576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).