(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C20H16F3N3O2 — CID 3225863

IUPAC(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H16F3N3O2/c21-14-8-6-12(7-9-14)18-24-19(28-25-18)13-3-2-10-26(11-13)20(27)17-15(22)4-1-5-16(17)23/h1,4-9,13H,2-3,10-11H2
InChIKeyCUMTUWZBGRAQNP-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.17
Rot. Bonds3

About (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3225863) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID3225863
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H16F3N3O2/c21-14-8-6-12(7-9-14)18-24-19(28-25-18)13-3-2-10-26(11-13)20(27)17-15(22)4-1-5-16(17)23/h1,4-9,13H,2-3,10-11H2
InChIKeyCUMTUWZBGRAQNP-UHFFFAOYSA-N
XLogP4.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3225863) is (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is CUMTUWZBGRAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-14-8-6-12(7-9-14)18-24-19(28-25-18)13-3-2-10-26(11-13)20(27)17-15(22)4-1-5-16(17)23/h1,4-9,13H,2-3,10-11H2.
What are the key properties of (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 387.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3225863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).