3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole

C16H21N3O2 — CID 63138006

IUPAC3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3(C)CCCNC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-20-13-7-4-6-12(10-13)14-18-15(21-19-14)16(2)8-5-9-17-11-16/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3
InChIKeyYIRBKTLYYDXTNE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds4

About 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole

3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63138006) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID63138006
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1cccc(-c2noc(C3(C)CCCNC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-20-13-7-4-6-12(10-13)14-18-15(21-19-14)16(2)8-5-9-17-11-16/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3
InChIKeyYIRBKTLYYDXTNE-UHFFFAOYSA-N
XLogP2.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole (CID 63138006) is 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is CCOc1cccc(-c2noc(C3(C)CCCNC3)n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is YIRBKTLYYDXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-20-13-7-4-6-12(10-13)14-18-15(21-19-14)16(2)8-5-9-17-11-16/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63138006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).