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

C18H17FN4O — CID 46342013

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyLKXUTJOFORKRIY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.20
Rot. Bonds3

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

5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 46342013) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID46342013
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyLKXUTJOFORKRIY-UHFFFAOYSA-N
XLogP3.20
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
5-(3-fluorophenyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769550
[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine
CID 167887457
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
(6R)-1-benzyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-6-ol
CID 97278250
[(1S,2R)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]cyclohexyl]methanamine
CID 167755991
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole (CID 46342013) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole is Fc1ccc(N2CCN(c3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is LKXUTJOFORKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole?
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 46342013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).