5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C17H22FN3O2 — CID 47014942

IUPAC5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(CCOc3ccccc3F)CC2)on1
InChIInChI=1S/C17H22FN3O2/c1-14-12-15(23-19-14)13-21-8-6-20(7-9-21)10-11-22-17-5-3-2-4-16(17)18/h2-5,12H,6-11,13H2,1H3
InChIKeyLEBFTUPOTDKTNY-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.32
Rot. Bonds6

About 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 47014942) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID47014942
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(CCOc3ccccc3F)CC2)on1
InChIInChI=1S/C17H22FN3O2/c1-14-12-15(23-19-14)13-21-8-6-20(7-9-21)10-11-22-17-5-3-2-4-16(17)18/h2-5,12H,6-11,13H2,1H3
InChIKeyLEBFTUPOTDKTNY-UHFFFAOYSA-N
XLogP2.32
TPSA41.74 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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 47014942) is 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN(CCOc3ccccc3F)CC2)on1.
What is the InChIKey of 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is LEBFTUPOTDKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-14-12-15(23-19-14)13-21-8-6-20(7-9-21)10-11-22-17-5-3-2-4-16(17)18/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 319.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 47014942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).