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

C15H12ClN3O2 — CID 913804

IUPAC5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-7-8-11(14(17-9)20-2)13-18-15(21-19-13)10-5-3-4-6-12(10)16/h3-8H,1-2H3
InChIKeyYDRJFLDKWLWMAI-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.77
Rot. Bonds3

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

5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 913804) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID913804
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN3O2/c1-9-7-8-11(14(17-9)20-2)13-18-15(21-19-13)10-5-3-4-6-12(10)16/h3-8H,1-2H3
InChIKeyYDRJFLDKWLWMAI-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 913804) is 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YDRJFLDKWLWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-7-8-11(14(17-9)20-2)13-18-15(21-19-13)10-5-3-4-6-12(10)16/h3-8H,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2-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-(2-chlorophenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).