3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole

C22H14FN3O2 — CID 118730567

IUPAC3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C22H14FN3O2/c23-17-4-8-19(9-5-17)27-18-6-1-14(2-7-18)21-25-22(28-26-21)16-3-10-20-15(13-16)11-12-24-20/h1-13,24H
InChIKeyLJMUZZUGHRTIJT-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.82
Rot. Bonds4

About 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole

3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole (PubChem CID 118730567) has the molecular formula C22H14FN3O2 and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole
PubChem CID118730567
Molecular FormulaC22H14FN3O2
Molecular Weight371.37 g/mol
Exact Mass371.11
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C22H14FN3O2/c23-17-4-8-19(9-5-17)27-18-6-1-14(2-7-18)21-25-22(28-26-21)16-3-10-20-15(13-16)11-12-24-20/h1-13,24H
InChIKeyLJMUZZUGHRTIJT-UHFFFAOYSA-N
XLogP5.82
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole (CID 118730567) is 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole is Fc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
The InChIKey is LJMUZZUGHRTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O2/c23-17-4-8-19(9-5-17)27-18-6-1-14(2-7-18)21-25-22(28-26-21)16-3-10-20-15(13-16)11-12-24-20/h1-13,24H.
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole?
3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole has a molecular weight of 371.37 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-5-(1H-indol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 118730567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).