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

C16H9Cl2FN2O — CID 9446940

IUPAC2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(/C=C(\Cl)c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H9Cl2FN2O/c17-12-6-4-11(5-7-12)15-20-21-16(22-15)14(18)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-
InChIKeyYPGJABCWNMJPCP-ZROIWOOFSA-N
MW335.17 g/mol
LogP5.27
Rot. Bonds3

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

2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 9446940) has the molecular formula C16H9Cl2FN2O and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID9446940
Molecular FormulaC16H9Cl2FN2O
Molecular Weight335.17 g/mol
Exact Mass334.01
IUPAC Name2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(/C=C(\Cl)c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C16H9Cl2FN2O/c17-12-6-4-11(5-7-12)15-20-21-16(22-15)14(18)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-
InChIKeyYPGJABCWNMJPCP-ZROIWOOFSA-N
XLogP5.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.17
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814959
2-[(Z)-1-chloro-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 9446966
2-[(Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 9031723
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663
N-(5-chloro-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392529
2-(5-bromothiophen-2-yl)-5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-1,3,4-oxadiazole
CID 9042302
N-(3-chlorophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392521
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 9446940) is 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is Fc1cccc(/C=C(\Cl)c2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is YPGJABCWNMJPCP-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O/c17-12-6-4-11(5-7-12)15-20-21-16(22-15)14(18)9-10-2-1-3-13(19)8-10/h1-9H/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 335.17 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-fluorophenyl)ethenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 9446940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).