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

C16H10FN3O — CID 162657871

IUPAC5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C16H10FN3O/c17-13-4-2-1-3-12(13)16-19-15(20-21-16)11-5-6-14-10(9-11)7-8-18-14/h1-9,18H
InChIKeyBVTXCANBJNMQGC-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.02
Rot. Bonds2

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

5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 162657871) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID162657871
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc3[nH]ccc3c2)no1
InChIInChI=1S/C16H10FN3O/c17-13-4-2-1-3-12(13)16-19-15(20-21-16)11-5-6-14-10(9-11)7-8-18-14/h1-9,18H
InChIKeyBVTXCANBJNMQGC-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 162657871) is 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2ccc3[nH]ccc3c2)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is BVTXCANBJNMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-13-4-2-1-3-12(13)16-19-15(20-21-16)11-5-6-14-10(9-11)7-8-18-14/h1-9,18H.
What are the key properties of 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 279.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 162657871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).