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

C16H11N3OS — CID 2797603

IUPAC3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cccs3)n2)cc(-n2cccc2)c1
InChIInChI=1S/C16H11N3OS/c1-2-9-19(8-1)13-6-3-5-12(11-13)15-17-16(20-18-15)14-7-4-10-21-14/h1-11H
InChIKeyNIKRKFCMMZTGPW-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.26
Rot. Bonds3

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

3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2797603) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2797603
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(-c3cccs3)n2)cc(-n2cccc2)c1
InChIInChI=1S/C16H11N3OS/c1-2-9-19(8-1)13-6-3-5-12(11-13)15-17-16(20-18-15)14-7-4-10-21-14/h1-11H
InChIKeyNIKRKFCMMZTGPW-UHFFFAOYSA-N
XLogP4.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 2797603) is 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is c1cc(-c2noc(-c3cccs3)n2)cc(-n2cccc2)c1.
What is the InChIKey of 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is NIKRKFCMMZTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c1-2-9-19(8-1)13-6-3-5-12(11-13)15-17-16(20-18-15)14-7-4-10-21-14/h1-11H.
What are the key properties of 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 293.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2797603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).