3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C21H20F2N4O2 — CID 110333834

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)26-11-13-27(14-12-26)20(28)10-9-19-24-25-21(29-19)17-3-1-2-4-18(17)23/h1-8H,9-14H2
InChIKeyCVECEEYKWUNRDI-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.30
Rot. Bonds5

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

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 110333834) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID110333834
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)26-11-13-27(14-12-26)20(28)10-9-19-24-25-21(29-19)17-3-1-2-4-18(17)23/h1-8H,9-14H2
InChIKeyCVECEEYKWUNRDI-UHFFFAOYSA-N
XLogP3.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110333919
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
N-benzyl-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333805
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 110333834) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CVECEEYKWUNRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-15-5-7-16(8-6-15)26-11-13-27(14-12-26)20(28)10-9-19-24-25-21(29-19)17-3-1-2-4-18(17)23/h1-8H,9-14H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 398.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110333834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).