2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole

C19H13Cl3N2O — CID 154525170

IUPAC2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESClC(Cl)(Cl)c1nnc(/C=C\c2ccc(/C=C\c3ccccc3)cc2)o1
InChIInChI=1S/C19H13Cl3N2O/c20-19(21,22)18-24-23-17(25-18)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H/b7-6-,13-12-
InChIKeyWNIBOEDSTLUPQG-ASZCUJMBSA-N
MW391.69 g/mol
LogP6.24
Rot. Bonds4

About 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole

2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole (PubChem CID 154525170) has the molecular formula C19H13Cl3N2O and a molecular weight of 391.69 g/mol. Its IUPAC name is 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
PubChem CID154525170
Molecular FormulaC19H13Cl3N2O
Molecular Weight391.69 g/mol
Exact Mass390.01
IUPAC Name2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESClC(Cl)(Cl)c1nnc(/C=C\c2ccc(/C=C\c3ccccc3)cc2)o1
InChIInChI=1S/C19H13Cl3N2O/c20-19(21,22)18-24-23-17(25-18)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H/b7-6-,13-12-
InChIKeyWNIBOEDSTLUPQG-ASZCUJMBSA-N
XLogP6.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 54121484
2-[2-(4-methylphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole
CID 54289722
benzene-1,2-diamine;2-ethenyl-5-(trichloromethyl)-1,3,4-oxadiazole
CID 174659700
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3305182
[2-(benzylamino)-2-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]propyl] benzoate
CID 72707558
2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3480460

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole (CID 154525170) is 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole is ClC(Cl)(Cl)c1nnc(/C=C\c2ccc(/C=C\c3ccccc3)cc2)o1.
What is the InChIKey of 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The InChIKey is WNIBOEDSTLUPQG-ASZCUJMBSA-N. The full InChI is InChI=1S/C19H13Cl3N2O/c20-19(21,22)18-24-23-17(25-18)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H/b7-6-,13-12-.
What are the key properties of 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole has a molecular weight of 391.69 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[4-[(Z)-2-phenylethenyl]phenyl]ethenyl]-5-(trichloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).