1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone

C23H24F2N4O2 — CID 78881465

IUPAC1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c(F)c1
InChIInChI=1S/C23H24F2N4O2/c1-14-12-18(4-6-19(14)24)22-26-23(31-27-22)15(2)28-8-10-29(11-9-28)21-7-5-17(16(3)30)13-20(21)25/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyGUJCAHGDKADDQI-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 78881465) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
PubChem CID78881465
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c(F)c1
InChIInChI=1S/C23H24F2N4O2/c1-14-12-18(4-6-19(14)24)22-26-23(31-27-22)15(2)28-8-10-29(11-9-28)21-7-5-17(16(3)30)13-20(21)25/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyGUJCAHGDKADDQI-UHFFFAOYSA-N
XLogP4.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 58055758
CID 58055759
CID 58055759
CID 58055771
CID 58055771
CID 58055782
CID 58055782
CID 16188569
CID 16188569
CID 1247926
CID 1247926
CID 45141869
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CID 132258035
CID 132258035

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone (CID 78881465) is 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is GUJCAHGDKADDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-14-12-18(4-6-19(14)24)22-26-23(31-27-22)15(2)28-8-10-29(11-9-28)21-7-5-17(16(3)30)13-20(21)25/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 426.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 78881465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).