[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C21H23N3O2 — CID 98361075

IUPAC[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N3O2/c25-21(17-13-14-9-10-16(17)12-14)24-11-5-4-8-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-18H,4-5,8,11-13H2/t14-,16-,17+,18-/m0/s1
InChIKeyINWYLJANKLYLOW-OWLYRPNTSA-N
MW349.43 g/mol
LogP4.00
Rot. Bonds3

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

[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 98361075) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID98361075
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H23N3O2/c25-21(17-13-14-9-10-16(17)12-14)24-11-5-4-8-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-18H,4-5,8,11-13H2/t14-,16-,17+,18-/m0/s1
InChIKeyINWYLJANKLYLOW-OWLYRPNTSA-N
XLogP4.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 98361078
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 42760540
(6-methyl-3-pyridinyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95286685
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120992144
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
[3,5-bis(trifluoromethyl)phenyl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5012942
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166193083

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 98361075) is [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is INWYLJANKLYLOW-OWLYRPNTSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(17-13-14-9-10-16(17)12-14)24-11-5-4-8-18(24)20-22-19(23-26-20)15-6-2-1-3-7-15/h1-3,6-7,9-10,14,16-18H,4-5,8,11-13H2/t14-,16-,17+,18-/m0/s1.
What are the key properties of [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 98361075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).