(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

C21H18F3N3O2 — CID 91906443

IUPAC(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H18F3N3O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)9-13-5-7-27(8-6-13)21(28)15-10-17(23)12-18(24)11-15/h1-4,10-13H,5-9H2
InChIKeyZRGAHLOMQFOTCU-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.25
Rot. Bonds4

About (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91906443) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID91906443
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C21H18F3N3O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)9-13-5-7-27(8-6-13)21(28)15-10-17(23)12-18(24)11-15/h1-4,10-13H,5-9H2
InChIKeyZRGAHLOMQFOTCU-UHFFFAOYSA-N
XLogP4.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 91906443) is (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is ZRGAHLOMQFOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c22-16-3-1-14(2-4-16)20-25-19(29-26-20)9-13-5-7-27(8-6-13)21(28)15-10-17(23)12-18(24)11-15/h1-4,10-13H,5-9H2.
What are the key properties of (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
(3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 401.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91906443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).