2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C19H27FN4O2 — CID 86895063

IUPAC2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1CC
InChIInChI=1S/C19H27FN4O2/c1-3-17-13-23(9-10-24(17)11-12-25-4-2)14-18-21-22-19(26-18)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyLYJBGRMCCJWCJB-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.81
Rot. Bonds8

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

2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 86895063) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID86895063
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1CC
InChIInChI=1S/C19H27FN4O2/c1-3-17-13-23(9-10-24(17)11-12-25-4-2)14-18-21-22-19(26-18)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyLYJBGRMCCJWCJB-UHFFFAOYSA-N
XLogP2.81
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
2-[[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895024
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 95332281
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
(2S)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95316608
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 86895063) is 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is CCOCCN1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1CC.
What is the InChIKey of 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is LYJBGRMCCJWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-3-17-13-23(9-10-24(17)11-12-25-4-2)14-18-21-22-19(26-18)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 362.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86895063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).