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

C16H21N3O2 — CID 60917370

IUPAC5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-13-8-5-12(6-9-13)7-10-15-18-16(19-21-15)14-4-2-3-11-17-14/h5-6,8-9,14,17H,2-4,7,10-11H2,1H3
InChIKeyOZOFEHBDMVLQSW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.68
Rot. Bonds5

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

5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60917370) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60917370
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CCc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-13-8-5-12(6-9-13)7-10-15-18-16(19-21-15)14-4-2-3-11-17-14/h5-6,8-9,14,17H,2-4,7,10-11H2,1H3
InChIKeyOZOFEHBDMVLQSW-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317452
1-(2-chloro-4-methoxyphenyl)-3-[3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 167753006
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60917370) is 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole is COc1ccc(CCc2nc(C3CCCCN3)no2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is OZOFEHBDMVLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-13-8-5-12(6-9-13)7-10-15-18-16(19-21-15)14-4-2-3-11-17-14/h5-6,8-9,14,17H,2-4,7,10-11H2,1H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 287.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).