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

C15H19N3O2 — CID 43105243

IUPAC3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(20-18-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyKYTHXTPMICKYEA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.51
Rot. Bonds5

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

3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 43105243) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID43105243
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2noc(C3CCCCN3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(20-18-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyKYTHXTPMICKYEA-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

3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 79369012
5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
3-[(2-methoxyphenyl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 163339408
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 43105243) is 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole is c1ccc(OCCc2noc(C3CCCCN3)n2)cc1.
What is the InChIKey of 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is KYTHXTPMICKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-6-12(7-3-1)19-11-9-14-17-15(20-18-14)13-8-4-5-10-16-13/h1-3,6-7,13,16H,4-5,8-11H2.
What are the key properties of 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(2-phenoxyethyl)-5-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 3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43105243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).