5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole

C15H19N3O2 — CID 60916955

IUPAC5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(18-20-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyRQWJQMFRSBDRBN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.51
Rot. Bonds5

About 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole

5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916955) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916955
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2nc(C3CCCCN3)no2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(18-20-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyRQWJQMFRSBDRBN-UHFFFAOYSA-N
XLogP2.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
5-(3-phenylpropyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317452
5-[2-(4-methoxyphenyl)ethyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60917370
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
3-(azepan-2-yl)-5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103972211
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916955) is 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole is c1ccc(OCCc2nc(C3CCCCN3)no2)cc1.
What is the InChIKey of 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is RQWJQMFRSBDRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(18-20-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2.
What are the key properties of 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).