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

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

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Related Compounds

5-[[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337586
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 56787377
1-[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 111824466
5-[[4-[2-(difluoromethyl)quinazolin-4-yl]-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337592
5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 167959661
5-[[4-(1-chloroisoquinolin-3-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337585
3-(1-methoxyethyl)-5-[[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133337620
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95155264
5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337609
[3-[[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752661
3-[methoxy(phenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 116743762

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).