5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

C19H19FN4O — CID 957413

IUPAC5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H19FN4O/c20-16-8-4-5-9-17(16)24-12-10-23(11-13-24)14-18-21-19(22-25-18)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyODVXDUNREJZHIG-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.20
Rot. Bonds4

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

5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 957413) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID957413
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C19H19FN4O/c20-16-8-4-5-9-17(16)24-12-10-23(11-13-24)14-18-21-19(22-25-18)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyODVXDUNREJZHIG-UHFFFAOYSA-N
XLogP3.20
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 957413) is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is Fc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ODVXDUNREJZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-8-4-5-9-17(16)24-12-10-23(11-13-24)14-18-21-19(22-25-18)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 957413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).