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

C25H21FN4O2 — CID 50828619

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H21FN4O2/c26-21-11-4-5-12-22(21)29-13-15-30(16-14-29)25(31)20-10-6-9-19(17-20)24-27-23(28-32-24)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChIKeyHMYXQJDHSWLQED-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.51
Rot. Bonds4

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

[4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 50828619) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID50828619
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H21FN4O2/c26-21-11-4-5-12-22(21)29-13-15-30(16-14-29)25(31)20-10-6-9-19(17-20)24-27-23(28-32-24)18-7-2-1-3-8-18/h1-12,17H,13-16H2
InChIKeyHMYXQJDHSWLQED-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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 50828619) is [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is O=C(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is HMYXQJDHSWLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-21-11-4-5-12-22(21)29-13-15-30(16-14-29)25(31)20-10-6-9-19(17-20)24-27-23(28-32-24)18-7-2-1-3-8-18/h1-12,17H,13-16H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(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-(2-fluorophenyl)piperazin-1-yl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 50828619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).