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

C16H11ClF2N2O2 — CID 9040627

IUPAC2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)c(F)c3)o2)c(C)o1
InChIInChI=1S/C16H11ClF2N2O2/c1-8-5-11(9(2)22-8)15-20-21-16(23-15)12(17)6-10-3-4-13(18)14(19)7-10/h3-7H,1-2H3/b12-6-
InChIKeyJOTXLFQVYDTVMD-SDQBBNPISA-N
MW336.73 g/mol
LogP4.96
Rot. Bonds3

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

2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 9040627) has the molecular formula C16H11ClF2N2O2 and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID9040627
Molecular FormulaC16H11ClF2N2O2
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)c(F)c3)o2)c(C)o1
InChIInChI=1S/C16H11ClF2N2O2/c1-8-5-11(9(2)22-8)15-20-21-16(23-15)12(17)6-10-3-4-13(18)14(19)7-10/h3-7H,1-2H3/b12-6-
InChIKeyJOTXLFQVYDTVMD-SDQBBNPISA-N
XLogP4.96
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 54.96
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-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole (CID 9040627) is 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is Cc1cc(-c2nnc(/C(Cl)=C/c3ccc(F)c(F)c3)o2)c(C)o1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is JOTXLFQVYDTVMD-SDQBBNPISA-N. The full InChI is InChI=1S/C16H11ClF2N2O2/c1-8-5-11(9(2)22-8)15-20-21-16(23-15)12(17)6-10-3-4-13(18)14(19)7-10/h3-7H,1-2H3/b12-6-.
What are the key properties of 2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 336.73 g/mol, XLogP of 4.96, 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-(3,4-difluorophenyl)ethenyl]-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 9040627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).