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

C17H13FN2OS — CID 3785907

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H13FN2OS/c18-15-9-6-14(7-10-15)12-22-17-20-19-16(21-17)11-8-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyASQYOAWIYKYKQI-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.67
Rot. Bonds5

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

2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 3785907) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID3785907
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H13FN2OS/c18-15-9-6-14(7-10-15)12-22-17-20-19-16(21-17)11-8-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyASQYOAWIYKYKQI-UHFFFAOYSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5854588
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 5909558
4-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5913783
2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2,5-Bis[(e)-2-phenylethenyl]-1,3,4-oxadiazole
CID 12206120
2,5-Distyryl-1,3,4-oxadiazole
CID 68407022
1-(4-fluorophenyl)-2-({5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)ethan-1-one
CID 6052536
2-Benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463332
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 141479171
(E)-2-(Ethylthio)-5-(4-fluorostyryl)-1,3,4-oxadiazole
CID 141479172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 3785907) is 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(C=Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is ASQYOAWIYKYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-15-9-6-14(7-10-15)12-22-17-20-19-16(21-17)11-8-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3785907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).