[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

C21H19N3O2 — CID 129358849

IUPAC[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CCC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(20-15-19(23-26-20)18-10-4-5-13-22-18)24-14-6-9-17(24)12-11-16-7-2-1-3-8-16/h1-5,7-8,10-13,15,17H,6,9,14H2/b12-11+/t17-/m0/s1
InChIKeyXUCICBKQUYQQDP-FLVLSHQESA-N
MW345.40 g/mol
LogP4.05
Rot. Bonds4

About [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 129358849) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID129358849
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CCC[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C21H19N3O2/c25-21(20-15-19(23-26-20)18-10-4-5-13-22-18)24-14-6-9-17(24)12-11-16-7-2-1-3-8-16/h1-5,7-8,10-13,15,17H,6,9,14H2/b12-11+/t17-/m0/s1
InChIKeyXUCICBKQUYQQDP-FLVLSHQESA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112227
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 128536760
[(3aS,6aS)-5-[(E)-3-chloroprop-2-enyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 146146772
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
[2-(4-ethylphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120740792
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (CID 129358849) is [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccn2)no1)N1CCC[C@H]1/C=C/c1ccccc1.
What is the InChIKey of [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is XUCICBKQUYQQDP-FLVLSHQESA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(20-15-19(23-26-20)18-10-4-5-13-22-18)24-14-6-9-17(24)12-11-16-7-2-1-3-8-16/h1-5,7-8,10-13,15,17H,6,9,14H2/b12-11+/t17-/m0/s1.
What are the key properties of [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 129358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).