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

C15H13N3O2 — CID 154747111

IUPAC3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cccc(C)n2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-5-8-12(16-10)15-17-14(18-20-15)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3
InChIKeyIRBZIUNNWVMEGP-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.12
Rot. Bonds3

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

3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 154747111) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID154747111
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2cccc(C)n2)n1
InChIInChI=1S/C15H13N3O2/c1-10-6-5-8-12(16-10)15-17-14(18-20-15)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3
InChIKeyIRBZIUNNWVMEGP-UHFFFAOYSA-N
XLogP3.12
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 154747111) is 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2cccc(C)n2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is IRBZIUNNWVMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-5-8-12(16-10)15-17-14(18-20-15)11-7-3-4-9-13(11)19-2/h3-9H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154747111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).