2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole

C17H11Cl2FN2O — CID 142316119

IUPAC2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Cc3cccc(Cl)c3)o2)c(Cl)c1
InChIInChI=1S/C17H11Cl2FN2O/c18-13-3-1-2-11(8-13)9-17-22-21-16(23-17)7-5-12-4-6-14(20)10-15(12)19/h1-8,10H,9H2/b7-5+
InChIKeyOJHVXZRTJUHNDV-FNORWQNLSA-N
MW349.19 g/mol
LogP5.28
Rot. Bonds4

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

2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 142316119) has the molecular formula C17H11Cl2FN2O and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID142316119
Molecular FormulaC17H11Cl2FN2O
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Cc3cccc(Cl)c3)o2)c(Cl)c1
InChIInChI=1S/C17H11Cl2FN2O/c18-13-3-1-2-11(8-13)9-17-22-21-16(23-17)7-5-12-4-6-14(20)10-15(12)19/h1-8,10H,9H2/b7-5+
InChIKeyOJHVXZRTJUHNDV-FNORWQNLSA-N
XLogP5.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.19
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole (CID 142316119) is 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(Cc3cccc(Cl)c3)o2)c(Cl)c1.
What is the InChIKey of 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is OJHVXZRTJUHNDV-FNORWQNLSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O/c18-13-3-1-2-11(8-13)9-17-22-21-16(23-17)7-5-12-4-6-14(20)10-15(12)19/h1-8,10H,9H2/b7-5+.
What are the key properties of 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole?
2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 349.19 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142316119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).