2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole

C16H12ClFN2O2 — CID 9040340

IUPAC2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C16H12ClFN2O2/c1-9-7-13(10(2)21-9)15-19-20-16(22-15)14(17)8-11-3-5-12(18)6-4-11/h3-8H,1-2H3/b14-8-
InChIKeyLYXGGKJWWMXWSG-ZSOIEALJSA-N
MW318.74 g/mol
LogP4.82
Rot. Bonds3

About 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole

2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 9040340) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID9040340
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C16H12ClFN2O2/c1-9-7-13(10(2)21-9)15-19-20-16(22-15)14(17)8-11-3-5-12(18)6-4-11/h3-8H,1-2H3/b14-8-
InChIKeyLYXGGKJWWMXWSG-ZSOIEALJSA-N
XLogP4.82
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (CID 9040340) is 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)cc3)o2)c(C)o1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is LYXGGKJWWMXWSG-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-9-7-13(10(2)21-9)15-19-20-16(22-15)14(17)8-11-3-5-12(18)6-4-11/h3-8H,1-2H3/b14-8-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 318.74 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9040340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).