1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one

C16H17F2N3O2 — CID 46096475

IUPAC1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C16H17F2N3O2/c1-2-14(22)21-7-5-10(6-8-21)16-19-15(20-23-16)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyISZLDTJEZQGPAD-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.13
Rot. Bonds3

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

1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 46096475) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID46096475
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1
InChIInChI=1S/C16H17F2N3O2/c1-2-14(22)21-7-5-10(6-8-21)16-19-15(20-23-16)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyISZLDTJEZQGPAD-UHFFFAOYSA-N
XLogP3.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 5149726
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 42760259
1-[(3R)-3-[3-[3-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 100690604
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]octan-1-one
CID 3589573
5-[1-(4-butylphenyl)sulfonylpiperidin-4-yl]-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 46096590
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
1-[(3R)-3-[3-[4-[(2R)-butan-2-yl]oxyphenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 129471671
1-[(3S)-3-[3-[4-[(2R)-butan-2-yl]oxyphenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 129471670

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one (CID 46096475) is 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1.
What is the InChIKey of 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ISZLDTJEZQGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-2-14(22)21-7-5-10(6-8-21)16-19-15(20-23-16)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one?
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 321.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46096475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).