3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole

C21H23FN4O2 — CID 18540173

IUPAC3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1cc(OCCCN2CCNCC2)ccc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4O2/c22-19-15-17(27-14-4-11-26-12-9-23-10-13-26)7-8-18(19)20-24-21(28-25-20)16-5-2-1-3-6-16/h1-3,5-8,15,23H,4,9-14H2
InChIKeyZANOXYOQLSRRBN-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.22
Rot. Bonds7

About 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole

3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 18540173) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID18540173
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1cc(OCCCN2CCNCC2)ccc1-c1noc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4O2/c22-19-15-17(27-14-4-11-26-12-9-23-10-13-26)7-8-18(19)20-24-21(28-25-20)16-5-2-1-3-6-16/h1-3,5-8,15,23H,4,9-14H2
InChIKeyZANOXYOQLSRRBN-UHFFFAOYSA-N
XLogP3.22
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole (CID 18540173) is 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole is Fc1cc(OCCCN2CCNCC2)ccc1-c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is ZANOXYOQLSRRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-19-15-17(27-14-4-11-26-12-9-23-10-13-26)7-8-18(19)20-24-21(28-25-20)16-5-2-1-3-6-16/h1-3,5-8,15,23H,4,9-14H2.
What are the key properties of 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole?
3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 382.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 18540173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).