3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole

C16H21N3O2 — CID 86820612

IUPAC3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-6-14(10-12)20-9-7-15-18-16(21-19-15)13-5-3-8-17-11-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
InChIKeyQWPCJMNCOSHBIU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole

3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 86820612) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID86820612
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(OCCc2noc(C3CCCNC3)n2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-6-14(10-12)20-9-7-15-18-16(21-19-15)13-5-3-8-17-11-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
InChIKeyQWPCJMNCOSHBIU-UHFFFAOYSA-N
XLogP2.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 86820612) is 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is Cc1cccc(OCCc2noc(C3CCCNC3)n2)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is QWPCJMNCOSHBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-2-6-14(10-12)20-9-7-15-18-16(21-19-15)13-5-3-8-17-11-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3.
What are the key properties of 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).