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

C15H19N3O2 — CID 29045231

IUPAC3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)19-11-8-14-17-15(20-18-14)12-6-9-16-10-7-12/h1-5,12,16H,6-11H2
InChIKeyWRAQUXHYZOJQLF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.16
Rot. Bonds5

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

3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 29045231) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID29045231
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(OCCc2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)19-11-8-14-17-15(20-18-14)12-6-9-16-10-7-12/h1-5,12,16H,6-11H2
InChIKeyWRAQUXHYZOJQLF-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 79369012
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
CID 130015814
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 29045231) is 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole is c1ccc(OCCc2noc(C3CCNCC3)n2)cc1.
What is the InChIKey of 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is WRAQUXHYZOJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-4-13(5-3-1)19-11-8-14-17-15(20-18-14)12-6-9-16-10-7-12/h1-5,12,16H,6-11H2.
What are the key properties of 3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 2.16, 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-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 29045231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).