5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

C18H25FN4O2 — CID 75376263

IUPAC5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCN(C(C)c3ccccc3F)CC2)n1
InChIInChI=1S/C18H25FN4O2/c1-13(15-6-4-5-7-16(15)19)23-10-8-22(9-11-23)12-17-20-18(21-25-17)14(2)24-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyGYTSZLMGBMHFBP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.79
Rot. Bonds6

About 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 75376263) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
PubChem CID75376263
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(CN2CCN(C(C)c3ccccc3F)CC2)n1
InChIInChI=1S/C18H25FN4O2/c1-13(15-6-4-5-7-16(15)19)23-10-8-22(9-11-23)12-17-20-18(21-25-17)14(2)24-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyGYTSZLMGBMHFBP-UHFFFAOYSA-N
XLogP2.79
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (CID 75376263) is 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is COC(C)c1noc(CN2CCN(C(C)c3ccccc3F)CC2)n1.
What is the InChIKey of 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is GYTSZLMGBMHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13(15-6-4-5-7-16(15)19)23-10-8-22(9-11-23)12-17-20-18(21-25-17)14(2)24-3/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 348.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).