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

C20H13N3OS — CID 164614799

IUPAC5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3ccc(-c4ccsc4)cc3)no2)c2cc[nH]c2c1
InChIInChI=1S/C20H13N3OS/c1-2-17(16-8-10-21-18(16)3-1)20-22-19(23-24-20)14-6-4-13(5-7-14)15-9-11-25-12-15/h1-12,21H
InChIKeyYGBKWRYZKRYVTA-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.61
Rot. Bonds3

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

5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole (PubChem CID 164614799) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole
PubChem CID164614799
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(-c3ccc(-c4ccsc4)cc3)no2)c2cc[nH]c2c1
InChIInChI=1S/C20H13N3OS/c1-2-17(16-8-10-21-18(16)3-1)20-22-19(23-24-20)14-6-4-13(5-7-14)15-9-11-25-12-15/h1-12,21H
InChIKeyYGBKWRYZKRYVTA-UHFFFAOYSA-N
XLogP5.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole (CID 164614799) is 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole is c1cc(-c2nc(-c3ccc(-c4ccsc4)cc3)no2)c2cc[nH]c2c1.
What is the InChIKey of 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is YGBKWRYZKRYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-2-17(16-8-10-21-18(16)3-1)20-22-19(23-24-20)14-6-4-13(5-7-14)15-9-11-25-12-15/h1-12,21H.
What are the key properties of 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole?
5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 343.41 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164614799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).