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

C16H15N3O2 — CID 25110236

IUPAC5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2nc(-c3ccncc3C)no2)c1
InChIInChI=1S/C16H15N3O2/c1-3-20-13-6-4-5-12(9-13)16-18-15(19-21-16)14-7-8-17-10-11(14)2/h4-10H,3H2,1-2H3
InChIKeySDXYKCBRTNLVSJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds4

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

5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 25110236) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID25110236
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2nc(-c3ccncc3C)no2)c1
InChIInChI=1S/C16H15N3O2/c1-3-20-13-6-4-5-12(9-13)16-18-15(19-21-16)14-7-8-17-10-11(14)2/h4-10H,3H2,1-2H3
InChIKeySDXYKCBRTNLVSJ-UHFFFAOYSA-N
XLogP3.51
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 25110236) is 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is CCOc1cccc(-c2nc(-c3ccncc3C)no2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is SDXYKCBRTNLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-20-13-6-4-5-12(9-13)16-18-15(19-21-16)14-7-8-17-10-11(14)2/h4-10H,3H2,1-2H3.
What are the key properties of 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 25110236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).