2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C19H23N3O3 — CID 94820729

IUPAC2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1CCCO1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c23-17(13-15-9-6-12-24-15)22-11-5-4-10-16(22)19-20-18(21-25-19)14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16-/m0/s1
InChIKeyOKSOYZBNQZUQRK-HOTGVXAUSA-N
MW341.41 g/mol
LogP3.36
Rot. Bonds4

About 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 94820729) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID94820729
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1CCCO1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c23-17(13-15-9-6-12-24-15)22-11-5-4-10-16(22)19-20-18(21-25-19)14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16-/m0/s1
InChIKeyOKSOYZBNQZUQRK-HOTGVXAUSA-N
XLogP3.36
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52872238
2-(cyclopropylmethylamino)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119770979
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]piperidin-2-one
CID 96580102
3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 96577519
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 42765325
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 94820729) is 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(C[C@@H]1CCCO1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is OKSOYZBNQZUQRK-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(13-15-9-6-12-24-15)22-11-5-4-10-16(22)19-20-18(21-25-19)14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2/t15-,16-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 94820729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).