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

C15H12ClN3O2 — CID 913805

IUPAC5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-3-8-12(15(17-9)20-2)13-18-14(21-19-13)10-4-6-11(16)7-5-10/h3-8H,1-2H3
InChIKeyHQRPDMDXGZXOAZ-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.77
Rot. Bonds3

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

5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 913805) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID913805
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-3-8-12(15(17-9)20-2)13-18-14(21-19-13)10-4-6-11(16)7-5-10/h3-8H,1-2H3
InChIKeyHQRPDMDXGZXOAZ-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 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-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 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 913805) is 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HQRPDMDXGZXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-3-8-12(15(17-9)20-2)13-18-14(21-19-13)10-4-6-11(16)7-5-10/h3-8H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-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 5-(4-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).