3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole

C10H6Cl2N2O — CID 81491984

IUPAC3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H6Cl2N2O/c1-2-9-13-10(14-15-9)6-3-4-7(11)8(12)5-6/h2-5H,1H2
InChIKeyPBTOMOAUERBROT-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.69
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole

3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole (PubChem CID 81491984) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole
PubChem CID81491984
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H6Cl2N2O/c1-2-9-13-10(14-15-9)6-3-4-7(11)8(12)5-6/h2-5H,1H2
InChIKeyPBTOMOAUERBROT-UHFFFAOYSA-N
XLogP3.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 81492192
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 81491862
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 81491734
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 81491989
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81492497
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 81491826
[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl thiocyanate
CID 91320388

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole (CID 81491984) is 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole is C=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
The InChIKey is PBTOMOAUERBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c1-2-9-13-10(14-15-9)6-3-4-7(11)8(12)5-6/h2-5H,1H2.
What are the key properties of 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole?
3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole has a molecular weight of 241.08 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-ethenyl-1,2,4-oxadiazole is sourced from PubChem (CID 81491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).