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

C16H12FN3O — CID 80564910

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CNc4ccccc43)n2)cc1
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-19-16(21-20-15)13-9-18-14-4-2-1-3-12(13)14/h1-8,13,18H,9H2
InChIKeyRTMLGZQJOFTTBA-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.43
Rot. Bonds2

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

5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 80564910) 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-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID80564910
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3CNc4ccccc43)n2)cc1
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-19-16(21-20-15)13-9-18-14-4-2-1-3-12(13)14/h1-8,13,18H,9H2
InChIKeyRTMLGZQJOFTTBA-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-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 80564910) is 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3CNc4ccccc43)n2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is RTMLGZQJOFTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-19-16(21-20-15)13-9-18-14-4-2-1-3-12(13)14/h1-8,13,18H,9H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-yl)-3-(4-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-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80564910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).