3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole

C21H21F2N3O — CID 98787086

IUPAC3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESC[C@H](c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H21F2N3O/c1-14(16-4-2-6-19(23)12-16)26-11-3-5-17(13-26)21-24-20(25-27-21)15-7-9-18(22)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3/t14-,17-/m1/s1
InChIKeyCGFWEOJYWXJTOX-RHSMWYFYSA-N
MW369.42 g/mol
LogP4.96
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 98787086) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID98787086
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESC[C@H](c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C21H21F2N3O/c1-14(16-4-2-6-19(23)12-16)26-11-3-5-17(13-26)21-24-20(25-27-21)15-7-9-18(22)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3/t14-,17-/m1/s1
InChIKeyCGFWEOJYWXJTOX-RHSMWYFYSA-N
XLogP4.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225926
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892557
2-[1-(3-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986500
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
(2,4-difluorophenyl)-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1453775
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
(2,6-difluorophenyl)-[(3S)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1454106

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 98787086) is 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole is C[C@H](c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is CGFWEOJYWXJTOX-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-14(16-4-2-6-19(23)12-16)26-11-3-5-17(13-26)21-24-20(25-27-21)15-7-9-18(22)10-8-15/h2,4,6-10,12,14,17H,3,5,11,13H2,1H3/t14-,17-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 369.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 98787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).