2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

C22H24FN3O2 — CID 90641258

IUPAC2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C22H24FN3O2/c23-19-6-2-1-5-17(19)21-24-20(28-25-21)12-15-4-3-9-26(13-15)22(27)18-11-14-7-8-16(18)10-14/h1-2,5-8,14-16,18H,3-4,9-13H2
InChIKeySVFRGRPHFQPFKW-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.87
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone

2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (PubChem CID 90641258) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
PubChem CID90641258
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C22H24FN3O2/c23-19-6-2-1-5-17(19)21-24-20(28-25-21)12-15-4-3-9-26(13-15)22(27)18-11-14-7-8-16(18)10-14/h1-2,5-8,14-16,18H,3-4,9-13H2
InChIKeySVFRGRPHFQPFKW-UHFFFAOYSA-N
XLogP3.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641150
2,3-dihydro-1,4-benzodioxin-3-yl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641218
N-cyclopentyl-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 90641345
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 99992117
3-[2-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90641288
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
3-[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 99992157
2-(4-fluorophenoxy)-1-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641193
4-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carbonyl]benzonitrile
CID 90641233
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 99992213
1,3-benzothiazol-2-yl-[(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 99992275
(2,5-dimethylfuran-3-yl)-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641217

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone (CID 90641258) is 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is O=C(C1CC2C=CC1C2)N1CCCC(Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is SVFRGRPHFQPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-6-2-1-5-17(19)21-24-20(28-25-21)12-15-4-3-9-26(13-15)22(27)18-11-14-7-8-16(18)10-14/h1-2,5-8,14-16,18H,3-4,9-13H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone?
2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 381.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-[3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).