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

C25H21FN4O2 — CID 50828762

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H21FN4O2/c26-21-10-12-22(13-11-21)29-14-16-30(17-15-29)25(31)20-8-6-19(7-9-20)24-27-23(28-32-24)18-4-2-1-3-5-18/h1-13H,14-17H2
InChIKeyINQITLOABFJZMK-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.51
Rot. Bonds4

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

[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 50828762) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID50828762
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H21FN4O2/c26-21-10-12-22(13-11-21)29-14-16-30(17-15-29)25(31)20-8-6-19(7-9-20)24-27-23(28-32-24)18-4-2-1-3-5-18/h1-13H,14-17H2
InChIKeyINQITLOABFJZMK-UHFFFAOYSA-N
XLogP4.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 50828722
(4-fluorophenyl)-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827967
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 42536958
5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 46266562
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 50828762) is [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is INQITLOABFJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-21-10-12-22(13-11-21)29-14-16-30(17-15-29)25(31)20-8-6-19(7-9-20)24-27-23(28-32-24)18-4-2-1-3-5-18/h1-13H,14-17H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 428.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 50828762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).