2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole

C17H12F2N2OS — CID 126720554

IUPAC2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole
SMILESC=CCSc1ccccc1-c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C17H12F2N2OS/c1-2-10-23-14-9-4-3-6-11(14)16-20-21-17(22-16)15-12(18)7-5-8-13(15)19/h2-9H,1,10H2
InChIKeyJAEGGGOCBFTQOM-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.96
Rot. Bonds5

About 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole

2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole (PubChem CID 126720554) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole
PubChem CID126720554
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole
SMILESC=CCSc1ccccc1-c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C17H12F2N2OS/c1-2-10-23-14-9-4-3-6-11(14)16-20-21-17(22-16)15-12(18)7-5-8-13(15)19/h2-9H,1,10H2
InChIKeyJAEGGGOCBFTQOM-UHFFFAOYSA-N
XLogP4.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 84603555
2-(2-prop-2-enylsulfanylphenyl)pyrimidine
CID 69328098
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 135391526
2,5-bis(2-prop-2-enoxyphenyl)-1,3,4-oxadiazole
CID 10404642
2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
CID 102525584
1-ethenyl-2-prop-2-enylsulfanylbenzene
CID 69409682
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] 4-methylbenzenesulfonate
CID 137346309
2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
CID 43513099
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
2,3-bis(prop-2-enylsulfanyl)phenol
CID 70364584

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole (CID 126720554) is 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole is C=CCSc1ccccc1-c1nnc(-c2c(F)cccc2F)o1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole?
The InChIKey is JAEGGGOCBFTQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c1-2-10-23-14-9-4-3-6-11(14)16-20-21-17(22-16)15-12(18)7-5-8-13(15)19/h2-9H,1,10H2.
What are the key properties of 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole?
2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole has a molecular weight of 330.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126720554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).