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

C15H12ClN3O2 — CID 913871

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-17-14(19-21-9)12-7-8-13(18-15(12)20-2)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyYXNAGBDBINETRW-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.77
Rot. Bonds3

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

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 913871) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
PubChem CID913871
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-17-14(19-21-9)12-7-8-13(18-15(12)20-2)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyYXNAGBDBINETRW-UHFFFAOYSA-N
XLogP3.77
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-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-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole (CID 913871) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole is COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C)n1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is YXNAGBDBINETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-17-14(19-21-9)12-7-8-13(18-15(12)20-2)10-3-5-11(16)6-4-10/h3-8H,1-2H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 301.73 g/mol, XLogP of 3.77, 3 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 913871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).