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

C24H25FN4O2 — CID 53033606

IUPAC1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C24H25FN4O2/c25-20-6-1-3-17(15-20)16-22(30)29-13-11-28(12-14-29)21-9-7-18(8-10-21)23-26-24(31-27-23)19-4-2-5-19/h1,3,6-10,15,19H,2,4-5,11-14,16H2
InChIKeyPAVYKVLDOSYOQD-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.03
Rot. Bonds5

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

1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 53033606) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID53033606
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C24H25FN4O2/c25-20-6-1-3-17(15-20)16-22(30)29-13-11-28(12-14-29)21-9-7-18(8-10-21)23-26-24(31-27-23)19-4-2-5-19/h1,3,6-10,15,19H,2,4-5,11-14,16H2
InChIKeyPAVYKVLDOSYOQD-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041970
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
N-[3-[5-[(3S)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 95092407
N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 53064620
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
(2S)-2-[3-[4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 122192910

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone (CID 53033606) is 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is PAVYKVLDOSYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-20-6-1-3-17(15-20)16-22(30)29-13-11-28(12-14-29)21-9-7-18(8-10-21)23-26-24(31-27-23)19-4-2-5-19/h1,3,6-10,15,19H,2,4-5,11-14,16H2.
What are the key properties of 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 420.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 53033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).