3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C17H18N4O4 — CID 96577519

IUPAC3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H18N4O4/c22-14(11-20-9-10-24-17(20)23)21-8-4-7-13(21)16-18-15(19-25-16)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKeyPNKWHCORTWPIHT-ZDUSSCGKSA-N
MW342.36 g/mol
LogP1.85
Rot. Bonds4

About 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 96577519) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID96577519
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H18N4O4/c22-14(11-20-9-10-24-17(20)23)21-8-4-7-13(21)16-18-15(19-25-16)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKeyPNKWHCORTWPIHT-ZDUSSCGKSA-N
XLogP1.85
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]piperidin-2-one
CID 96580102
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 70726934
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 97118253
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94820729
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
2-phenylmethoxy-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 42765325
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 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) is 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is PNKWHCORTWPIHT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-14(11-20-9-10-24-17(20)23)21-8-4-7-13(21)16-18-15(19-25-16)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 342.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 96577519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).