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

C22H15N3O2 — CID 118730565

IUPAC5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C22H15N3O2/c1-2-4-18(5-3-1)26-19-9-6-15(7-10-19)21-24-22(27-25-21)17-8-11-20-16(14-17)12-13-23-20/h1-14,23H
InChIKeyJMBSKDLCXYZNMZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.68
Rot. Bonds4

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

5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole (PubChem CID 118730565) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
PubChem CID118730565
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C22H15N3O2/c1-2-4-18(5-3-1)26-19-9-6-15(7-10-19)21-24-22(27-25-21)17-8-11-20-16(14-17)12-13-23-20/h1-14,23H
InChIKeyJMBSKDLCXYZNMZ-UHFFFAOYSA-N
XLogP5.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole (CID 118730565) is 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole is c1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JMBSKDLCXYZNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-2-4-18(5-3-1)26-19-9-6-15(7-10-19)21-24-22(27-25-21)17-8-11-20-16(14-17)12-13-23-20/h1-14,23H.
What are the key properties of 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole?
5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 353.38 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118730565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).