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

C17H22FN3O3 — CID 53191887

IUPAC5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CCCCN2CCOc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O3/c1-22-12-16-19-17(24-20-16)15-4-2-3-9-21(15)10-11-23-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyVOFKVVLODKBBKY-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.96
Rot. Bonds7

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

5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 53191887) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID53191887
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2CCCCN2CCOc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O3/c1-22-12-16-19-17(24-20-16)15-4-2-3-9-21(15)10-11-23-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyVOFKVVLODKBBKY-UHFFFAOYSA-N
XLogP2.96
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91920794
2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 53192022
N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341144
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893
2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110664
1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 53191887) is 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(C2CCCCN2CCOc2ccc(F)cc2)n1.
What is the InChIKey of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is VOFKVVLODKBBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-22-12-16-19-17(24-20-16)15-4-2-3-9-21(15)10-11-23-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 335.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53191887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).