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

C15H18FN3O2 — CID 86820611

IUPAC3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCCc2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H18FN3O2/c16-12-3-5-13(6-4-12)20-9-7-14-18-15(21-19-14)11-2-1-8-17-10-11/h3-6,11,17H,1-2,7-10H2
InChIKeyOIXKOXSFFCGGLE-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.30
Rot. Bonds5

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

3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 86820611) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID86820611
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESFc1ccc(OCCc2noc(C3CCCNC3)n2)cc1
InChIInChI=1S/C15H18FN3O2/c16-12-3-5-13(6-4-12)20-9-7-14-18-15(21-19-14)11-2-1-8-17-10-11/h3-6,11,17H,1-2,7-10H2
InChIKeyOIXKOXSFFCGGLE-UHFFFAOYSA-N
XLogP2.30
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-fluorophenoxy)methyl]piperidine
CID 16188752
1-(3-{5-[(2-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)butan-1-one
CID 91907945
5-(Azetidin-3-YL)-3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 90488024
1-(3-{5-[(2-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)-2-methylpropan-1-one
CID 91907925
1-Cyclopropanecarbonyl-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine
CID 91907926
N-Ethyl-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91907930
3-{3-[2-(4-Fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-YL}-N-(2-methylpropyl)piperidine-1-carboxamide
CID 124053802
4-{5-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine
CID 86767911
3-[2-(4-Fluorophenoxy)ethyl]-5-(2-piperidyl)-1,2,4-oxadiazole
CID 86820526
3-[5-(Phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine
CID 63026294
3-{3-[2-(3-Methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidine
CID 86820612
N-(2-phenoxyethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 52243180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 86820611) is 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is Fc1ccc(OCCc2noc(C3CCCNC3)n2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is OIXKOXSFFCGGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-5-13(6-4-12)20-9-7-14-18-15(21-19-14)11-2-1-8-17-10-11/h3-6,11,17H,1-2,7-10H2.
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 291.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).