(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one

C19H17N3O3 — CID 129447752

IUPAC(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1
InChIInChI=1S/C19H17N3O3/c23-18(9-8-15-7-4-10-24-15)22-11-16(14-5-2-1-3-6-14)17(12-22)19-20-13-25-21-19/h1-10,13,16-17H,11-12H2/b9-8+/t16-,17-/m1/s1
InChIKeyLUYBBPZADGJNTK-PIIXRYACSA-N
MW335.36 g/mol
LogP3.09
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 129447752) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one
PubChem CID129447752
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1
InChIInChI=1S/C19H17N3O3/c23-18(9-8-15-7-4-10-24-15)22-11-16(14-5-2-1-3-6-14)17(12-22)19-20-13-25-21-19/h1-10,13,16-17H,11-12H2/b9-8+/t16-,17-/m1/s1
InChIKeyLUYBBPZADGJNTK-PIIXRYACSA-N
XLogP3.09
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one 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

(5-methyl-1,2-oxazol-3-yl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124761202
(2,3-dichlorophenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 129417298
(5-methylthiophen-2-yl)-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124727923
methyl 2-[3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 121019739
4-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidine-1-carbonyl]benzonitrile
CID 129417421
(2,5-dimethylphenyl)-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760633
1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 129417124
2-(4-fluorophenyl)sulfanyl-1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]ethanone
CID 129417329
2-(4-fluorophenyl)sulfanyl-1-[(3R,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]ethanone
CID 129417327
1H-indol-6-yl-[(3S,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124760884
3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 121019752
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one (CID 129447752) is (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is LUYBBPZADGJNTK-PIIXRYACSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(9-8-15-7-4-10-24-15)22-11-16(14-5-2-1-3-6-14)17(12-22)19-20-13-25-21-19/h1-10,13,16-17H,11-12H2/b9-8+/t16-,17-/m1/s1.
What are the key properties of (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 335.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[(3S,4S)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 129447752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).