[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C20H19F2N3O3 — CID 69128453

IUPAC[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C2=CN(Oc3ccc(F)cc3)NO2)C1
InChIInChI=1S/C20H19F2N3O3/c21-16-5-3-14(4-6-16)20(26)24-11-1-2-15(12-24)19-13-25(23-27-19)28-18-9-7-17(22)8-10-18/h3-10,13,15,23H,1-2,11-12H2
InChIKeyATAIQMHRUIOILY-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.40
Rot. Bonds4

About [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 69128453) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID69128453
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C2=CN(Oc3ccc(F)cc3)NO2)C1
InChIInChI=1S/C20H19F2N3O3/c21-16-5-3-14(4-6-16)20(26)24-11-1-2-15(12-24)19-13-25(23-27-19)28-18-9-7-17(22)8-10-18/h3-10,13,15,23H,1-2,11-12H2
InChIKeyATAIQMHRUIOILY-UHFFFAOYSA-N
XLogP3.40
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69108818
[(3S)-3-[3-(3-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 69128780
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(3,4-difluorophenyl)-[(3S)-3-(3-thiophen-3-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 69109047
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 69109071
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 69128453) is [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(C2=CN(Oc3ccc(F)cc3)NO2)C1.
What is the InChIKey of [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ATAIQMHRUIOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-16-5-3-14(4-6-16)20(26)24-11-1-2-15(12-24)19-13-25(23-27-19)28-18-9-7-17(22)8-10-18/h3-10,13,15,23H,1-2,11-12H2.
What are the key properties of [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 387.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenoxy)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 69128453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).