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

C16H19FN4O3 — CID 174476302

IUPAC2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate
SMILESO=COCCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H19FN4O3/c17-14-3-1-2-13(10-14)16-18-15(19-24-16)11-21-6-4-20(5-7-21)8-9-23-12-22/h1-3,10,12H,4-9,11H2
InChIKeyBHFGKLZFYGPTBU-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.17
Rot. Bonds7

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

2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate (PubChem CID 174476302) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate
PubChem CID174476302
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate
SMILESO=COCCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H19FN4O3/c17-14-3-1-2-13(10-14)16-18-15(19-24-16)11-21-6-4-20(5-7-21)8-9-23-12-22/h1-3,10,12H,4-9,11H2
InChIKeyBHFGKLZFYGPTBU-UHFFFAOYSA-N
XLogP1.17
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate?
The IUPAC name of 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate (CID 174476302) is 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate.
What is the SMILES notation for 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate?
The canonical SMILES for 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate is O=COCCN1CCN(Cc2noc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate?
The InChIKey is BHFGKLZFYGPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-14-3-1-2-13(10-14)16-18-15(19-24-16)11-21-6-4-20(5-7-21)8-9-23-12-22/h1-3,10,12H,4-9,11H2.
What are the key properties of 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate?
2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate has a molecular weight of 334.35 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl formate is sourced from PubChem (CID 174476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).