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

C11H9FN2OS — CID 141479171

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C11H9FN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-7H,1H3/b7-4+
InChIKeyBMDRNOHRKCQUIB-QPJJXVBHSA-N
MW236.27 g/mol
LogP3.10
Rot. Bonds3

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

2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 141479171) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID141479171
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C11H9FN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-7H,1H3/b7-4+
InChIKeyBMDRNOHRKCQUIB-QPJJXVBHSA-N
XLogP3.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole (CID 141479171) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(/C=C/c2ccc(F)cc2)o1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is BMDRNOHRKCQUIB-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-16-11-14-13-10(15-11)7-4-8-2-5-9(12)6-3-8/h2-7H,1H3/b7-4+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141479171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).