2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole

C19H15ClN2O — CID 141184890

IUPAC2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2cccc(C=Cc3nnc(CCl)o3)c2)cc1
InChIInChI=1S/C19H15ClN2O/c1-2-14-6-9-16(10-7-14)17-5-3-4-15(12-17)8-11-18-21-22-19(13-20)23-18/h2-12H,1,13H2
InChIKeyURZIXCPEWMXTDY-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.29
Rot. Bonds5

About 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole (PubChem CID 141184890) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole
PubChem CID141184890
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2cccc(C=Cc3nnc(CCl)o3)c2)cc1
InChIInChI=1S/C19H15ClN2O/c1-2-14-6-9-16(10-7-14)17-5-3-4-15(12-17)8-11-18-21-22-19(13-20)23-18/h2-12H,1,13H2
InChIKeyURZIXCPEWMXTDY-UHFFFAOYSA-N
XLogP5.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.29
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-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole (CID 141184890) is 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole is C=Cc1ccc(-c2cccc(C=Cc3nnc(CCl)o3)c2)cc1.
What is the InChIKey of 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is URZIXCPEWMXTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-2-14-6-9-16(10-7-14)17-5-3-4-15(12-17)8-11-18-21-22-19(13-20)23-18/h2-12H,1,13H2.
What are the key properties of 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 322.80 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-[3-(4-ethenylphenyl)phenyl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141184890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).