3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole

C10H6FN3O — CID 59069153

IUPAC3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)c2[nH]ccc12
InChIInChI=1S/C10H6FN3O/c11-8-2-1-7(10-13-5-15-14-10)9-6(8)3-4-12-9/h1-5,12H
InChIKeyKZPVVXOZNPBVBA-UHFFFAOYSA-N
MW203.18 g/mol
LogP2.36
Rot. Bonds1

About 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole

3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole (PubChem CID 59069153) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole
PubChem CID59069153
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)c2[nH]ccc12
InChIInChI=1S/C10H6FN3O/c11-8-2-1-7(10-13-5-15-14-10)9-6(8)3-4-12-9/h1-5,12H
InChIKeyKZPVVXOZNPBVBA-UHFFFAOYSA-N
XLogP2.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole (CID 59069153) is 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole is Fc1ccc(-c2ncon2)c2[nH]ccc12.
What is the InChIKey of 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole?
The InChIKey is KZPVVXOZNPBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-8-2-1-7(10-13-5-15-14-10)9-6(8)3-4-12-9/h1-5,12H.
What are the key properties of 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole?
3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole has a molecular weight of 203.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 59069153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).