2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole

C11H7Cl3N2O — CID 54121484

IUPAC2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1
InChIInChI=1S/C11H7Cl3N2O/c12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyNNZJWOOLGPPUKX-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.07
Rot. Bonds2

About 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole

2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (PubChem CID 54121484) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
PubChem CID54121484
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1
InChIInChI=1S/C11H7Cl3N2O/c12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyNNZJWOOLGPPUKX-UHFFFAOYSA-N
XLogP4.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole (CID 54121484) is 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is ClC(Cl)(Cl)c1nnc(C=Cc2ccccc2)o1.
What is the InChIKey of 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
The InChIKey is NNZJWOOLGPPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-11(13,14)10-16-15-9(17-10)7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole?
2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole has a molecular weight of 289.55 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 54121484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).