3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C11H6ClFN4O2 — CID 75527900

IUPAC3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nc(-c3ccc(Cl)c(F)c3)no2)n1
InChIInChI=1S/C11H6ClFN4O2/c1-5-14-10(18-16-5)11-15-9(17-19-11)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyVUDICCTXHFPVKV-UHFFFAOYSA-N
MW280.65 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 75527900) has the molecular formula C11H6ClFN4O2 and a molecular weight of 280.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID75527900
Molecular FormulaC11H6ClFN4O2
Molecular Weight280.65 g/mol
Exact Mass280.02
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2nc(-c3ccc(Cl)c(F)c3)no2)n1
InChIInChI=1S/C11H6ClFN4O2/c1-5-14-10(18-16-5)11-15-9(17-19-11)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyVUDICCTXHFPVKV-UHFFFAOYSA-N
XLogP2.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.65
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-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 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 75527900) is 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is Cc1noc(-c2nc(-c3ccc(Cl)c(F)c3)no2)n1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is VUDICCTXHFPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O2/c1-5-14-10(18-16-5)11-15-9(17-19-11)6-2-3-7(12)8(13)4-6/h2-4H,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 280.65 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75527900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).