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

C17H23FN4O2 — CID 56802281

IUPAC2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1C
InChIInChI=1S/C17H23FN4O2/c1-13-11-21(7-8-22(13)9-10-23-2)12-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyLFTSNXTZVPPZQJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.03
Rot. Bonds6

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

2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 56802281) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID56802281
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1C
InChIInChI=1S/C17H23FN4O2/c1-13-11-21(7-8-22(13)9-10-23-2)12-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyLFTSNXTZVPPZQJ-UHFFFAOYSA-N
XLogP2.03
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 56802281) is 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is COCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1C.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is LFTSNXTZVPPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-13-11-21(7-8-22(13)9-10-23-2)12-16-19-20-17(24-16)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 334.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56802281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).