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

C16H11N3O — CID 139220775

IUPAC3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)16-18-15(19-20-16)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H
InChIKeyJIWDGOXUWPEQSO-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.88
Rot. Bonds2

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

3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 139220775) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID139220775
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-11(7-3-1)16-18-15(19-20-16)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H
InChIKeyJIWDGOXUWPEQSO-UHFFFAOYSA-N
XLogP3.88
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole (CID 139220775) is 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole is c1ccc(-c2nc(-c3c[nH]c4ccccc34)no2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is JIWDGOXUWPEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-11(7-3-1)16-18-15(19-20-16)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H.
What are the key properties of 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole?
3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 261.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 139220775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).