3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

C20H13ClFN3O2 — CID 2012085

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C20H13ClFN3O2/c1-26-19-15(10-11-17(23-19)12-6-8-13(21)9-7-12)18-24-20(27-25-18)14-4-2-3-5-16(14)22/h2-11H,1H3
InChIKeyDRHQOZNLYPYRCV-UHFFFAOYSA-N
MW381.79 g/mol
LogP5.27
Rot. Bonds4

About 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 2012085) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID2012085
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C20H13ClFN3O2/c1-26-19-15(10-11-17(23-19)12-6-8-13(21)9-7-12)18-24-20(27-25-18)14-4-2-3-5-16(14)22/h2-11H,1H3
InChIKeyDRHQOZNLYPYRCV-UHFFFAOYSA-N
XLogP5.27
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.79
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-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-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 2012085) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccccc2F)n1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is DRHQOZNLYPYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c1-26-19-15(10-11-17(23-19)12-6-8-13(21)9-7-12)18-24-20(27-25-18)14-4-2-3-5-16(14)22/h2-11H,1H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 381.79 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).