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

C17H22FN3O2 — CID 51087893

IUPAC5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(CCCOc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN3O2/c1-13-19-17(23-20-13)14-7-10-21(11-8-14)9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-12H2,1H3
InChIKeyOJECOICTBVWANX-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.17
Rot. Bonds6

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

5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 51087893) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID51087893
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(CCCOc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H22FN3O2/c1-13-19-17(23-20-13)14-7-10-21(11-8-14)9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-12H2,1H3
InChIKeyOJECOICTBVWANX-UHFFFAOYSA-N
XLogP3.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethoxy]ethanol
CID 111332747
5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051
5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95149279
5-[(3S)-1-[3-(4-methylphenoxy)propyl]pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 95829977
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
6-fluoro-3-[1-[3-[4-(methoxymethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140530485

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 51087893) is 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(CCCOc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is OJECOICTBVWANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-13-19-17(23-20-13)14-7-10-21(11-8-14)9-2-12-22-16-5-3-15(18)4-6-16/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 319.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 51087893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).