5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C14H9FN2OS — CID 5293877

IUPAC5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1/C=C/c1nc(-c2cccs2)no1
InChIInChI=1S/C14H9FN2OS/c15-11-5-2-1-4-10(11)7-8-13-16-14(17-18-13)12-6-3-9-19-12/h1-9H/b8-7+
InChIKeyMWNMNTZAFODLGE-BQYQJAHWSA-N
MW272.30 g/mol
LogP4.11
Rot. Bonds3

About 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 5293877) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID5293877
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC Name5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1/C=C/c1nc(-c2cccs2)no1
InChIInChI=1S/C14H9FN2OS/c15-11-5-2-1-4-10(11)7-8-13-16-14(17-18-13)12-6-3-9-19-12/h1-9H/b8-7+
InChIKeyMWNMNTZAFODLGE-BQYQJAHWSA-N
XLogP4.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 5293877) is 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1ccccc1/C=C/c1nc(-c2cccs2)no1.
What is the InChIKey of 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is MWNMNTZAFODLGE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-11-5-2-1-4-10(11)7-8-13-16-14(17-18-13)12-6-3-9-19-12/h1-9H/b8-7+.
What are the key properties of 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 272.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-fluorophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 5293877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).