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

C14H17N3O2 — CID 62717200

IUPAC3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-6-12(7-3-1)18-10-13-16-14(19-17-13)11-5-4-8-15-9-11/h1-3,6-7,11,15H,4-5,8-10H2
InChIKeyTVEZPDWDZBCJCK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds4

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

3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 62717200) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID62717200
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-6-12(7-3-1)18-10-13-16-14(19-17-13)11-5-4-8-15-9-11/h1-3,6-7,11,15H,4-5,8-10H2
InChIKeyTVEZPDWDZBCJCK-UHFFFAOYSA-N
XLogP2.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 154735478
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 62717200) is 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole is c1ccc(OCc2noc(C3CCCNC3)n2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is TVEZPDWDZBCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-6-12(7-3-1)18-10-13-16-14(19-17-13)11-5-4-8-15-9-11/h1-3,6-7,11,15H,4-5,8-10H2.
What are the key properties of 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62717200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).