2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole

C18H10F4N2O — CID 155241355

IUPAC2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(/C=C/c3ccc(F)c(F)c3)o2)cc1F
InChIInChI=1S/C18H10F4N2O/c19-13-5-1-11(9-15(13)21)3-7-17-23-24-18(25-17)8-4-12-2-6-14(20)16(22)10-12/h1-10H/b7-3+,8-4+
InChIKeyWUQRWFGLEQIWBN-FCXRPNKRSA-N
MW346.28 g/mol
LogP4.97
Rot. Bonds4

About 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole

2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 155241355) has the molecular formula C18H10F4N2O and a molecular weight of 346.28 g/mol. Its IUPAC name is 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID155241355
Molecular FormulaC18H10F4N2O
Molecular Weight346.28 g/mol
Exact Mass346.07
IUPAC Name2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(/C=C/c3ccc(F)c(F)c3)o2)cc1F
InChIInChI=1S/C18H10F4N2O/c19-13-5-1-11(9-15(13)21)3-7-17-23-24-18(25-17)8-4-12-2-6-14(20)16(22)10-12/h1-10H/b7-3+,8-4+
InChIKeyWUQRWFGLEQIWBN-FCXRPNKRSA-N
XLogP4.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole (CID 155241355) is 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(/C=C/c3ccc(F)c(F)c3)o2)cc1F.
What is the InChIKey of 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is WUQRWFGLEQIWBN-FCXRPNKRSA-N. The full InChI is InChI=1S/C18H10F4N2O/c19-13-5-1-11(9-15(13)21)3-7-17-23-24-18(25-17)8-4-12-2-6-14(20)16(22)10-12/h1-10H/b7-3+,8-4+.
What are the key properties of 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole?
2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 346.28 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-(3,4-difluorophenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155241355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).