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

C16H10F2N2OS — CID 141479181

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H10F2N2OS/c17-12-4-1-11(2-5-12)3-10-15-19-20-16(21-15)22-14-8-6-13(18)7-9-14/h1-10H/b10-3+
InChIKeyQUGKARUQJZNBIG-XCVCLJGOSA-N
MW316.33 g/mol
LogP4.67
Rot. Bonds4

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

2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole (PubChem CID 141479181) has the molecular formula C16H10F2N2OS and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole
PubChem CID141479181
Molecular FormulaC16H10F2N2OS
Molecular Weight316.33 g/mol
Exact Mass316.05
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C16H10F2N2OS/c17-12-4-1-11(2-5-12)3-10-15-19-20-16(21-15)22-14-8-6-13(18)7-9-14/h1-10H/b10-3+
InChIKeyQUGKARUQJZNBIG-XCVCLJGOSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Bis[(e)-2-phenylethenyl]-1,3,4-oxadiazole
CID 12206120
2,5-Distyryl-1,3,4-oxadiazole
CID 68407022
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
2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479173
2-benzylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479176
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole
CID 141479178
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479191
2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 155241355
2-Benzylsulfanyl-5-[2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 174853568

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole (CID 141479181) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(Sc3ccc(F)cc3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is QUGKARUQJZNBIG-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H10F2N2OS/c17-12-4-1-11(2-5-12)3-10-15-19-20-16(21-15)22-14-8-6-13(18)7-9-14/h1-10H/b10-3+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 316.33 g/mol, XLogP of 4.67, 4 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-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141479181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).