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

C16H12FN3O — CID 80564388

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C16H12FN3O/c17-13-7-3-1-6-11(13)15-19-16(21-20-15)12-9-18-14-8-4-2-5-10(12)14/h1-8,12,18H,9H2
InChIKeyRAJDYMHQDBAYRJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.43
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 80564388) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID80564388
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1noc(C2CNc3ccccc32)n1
InChIInChI=1S/C16H12FN3O/c17-13-7-3-1-6-11(13)15-19-16(21-20-15)12-9-18-14-8-4-2-5-10(12)14/h1-8,12,18H,9H2
InChIKeyRAJDYMHQDBAYRJ-UHFFFAOYSA-N
XLogP3.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole (CID 80564388) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole is Fc1ccccc1-c1noc(C2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is RAJDYMHQDBAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-7-3-1-6-11(13)15-19-16(21-20-15)12-9-18-14-8-4-2-5-10(12)14/h1-8,12,18H,9H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 281.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-3-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80564388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).