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

C23H22F2N4O2 — CID 53033594

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C23H22F2N4O2/c24-19-9-6-17(14-20(19)25)23(30)29-12-10-28(11-13-29)18-7-4-15(5-8-18)21-26-22(31-27-21)16-2-1-3-16/h4-9,14,16H,1-3,10-13H2
InChIKeyNHZPSLSQTUEVGH-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.24
Rot. Bonds4

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

[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 53033594) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID53033594
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C23H22F2N4O2/c24-19-9-6-17(14-20(19)25)23(30)29-12-10-28(11-13-29)18-7-4-15(5-8-18)21-26-22(31-27-21)16-2-1-3-16/h4-9,14,16H,1-3,10-13H2
InChIKeyNHZPSLSQTUEVGH-UHFFFAOYSA-N
XLogP4.24
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 53033594) is [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1.
What is the InChIKey of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is NHZPSLSQTUEVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c24-19-9-6-17(14-20(19)25)23(30)29-12-10-28(11-13-29)18-7-4-15(5-8-18)21-26-22(31-27-21)16-2-1-3-16/h4-9,14,16H,1-3,10-13H2.
What are the key properties of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 424.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 53033594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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