2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole

C18H13Cl2FN2O — CID 142315972

IUPAC2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(C=Cc3ccc(F)cc3Cl)o2)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O/c1-11-2-3-12(8-15(11)19)9-18-23-22-17(24-18)7-5-13-4-6-14(21)10-16(13)20/h2-8,10H,9H2,1H3
InChIKeyAJSWYCJLIUBYAL-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.59
Rot. Bonds4

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

2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 142315972) has the molecular formula C18H13Cl2FN2O and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
PubChem CID142315972
Molecular FormulaC18H13Cl2FN2O
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(C=Cc3ccc(F)cc3Cl)o2)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O/c1-11-2-3-12(8-15(11)19)9-18-23-22-17(24-18)7-5-13-4-6-14(21)10-16(13)20/h2-8,10H,9H2,1H3
InChIKeyAJSWYCJLIUBYAL-UHFFFAOYSA-N
XLogP5.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole (CID 142315972) is 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole is Cc1ccc(Cc2nnc(C=Cc3ccc(F)cc3Cl)o2)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is AJSWYCJLIUBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O/c1-11-2-3-12(8-15(11)19)9-18-23-22-17(24-18)7-5-13-4-6-14(21)10-16(13)20/h2-8,10H,9H2,1H3.
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole?
2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 363.22 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)ethenyl]-5-[(3-chloro-4-methylphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142315972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).