(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one

C19H15F2N3O2S — CID 119102370

IUPAC(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C\c1cc(F)ccc1F)N1CCC(c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C19H15F2N3O2S/c20-14-4-5-15(21)12(10-14)3-6-17(25)24-8-7-13(11-24)18-22-19(26-23-18)16-2-1-9-27-16/h1-6,9-10,13H,7-8,11H2/b6-3-
InChIKeyAZZCVVGOFQJLJQ-UTCJRWHESA-N
MW387.41 g/mol
LogP4.11
Rot. Bonds4

About (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one

(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 119102370) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID119102370
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C\c1cc(F)ccc1F)N1CCC(c2noc(-c3cccs3)n2)C1
InChIInChI=1S/C19H15F2N3O2S/c20-14-4-5-15(21)12(10-14)3-6-17(25)24-8-7-13(11-24)18-22-19(26-23-18)16-2-1-9-27-16/h1-6,9-10,13H,7-8,11H2/b6-3-
InChIKeyAZZCVVGOFQJLJQ-UTCJRWHESA-N
XLogP4.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

furan-3-yl-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876341
2-methoxy-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 119102358
furan-3-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124876340
(Z)-3-thiophen-2-yl-1-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 129447759
1-benzothiophen-2-yl-[(3S)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759884
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892522
[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124877951
(E)-3-(furan-2-yl)-1-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 124891869
3-(1H-benzimidazol-2-yl)-1-[(3R)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 124874907
(Z)-3-phenyl-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 129447731
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
(E)-3-(4-methylphenyl)-1-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 46389295

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one (CID 119102370) is (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C\c1cc(F)ccc1F)N1CCC(c2noc(-c3cccs3)n2)C1.
What is the InChIKey of (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is AZZCVVGOFQJLJQ-UTCJRWHESA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c20-14-4-5-15(21)12(10-14)3-6-17(25)24-8-7-13(11-24)18-22-19(26-23-18)16-2-1-9-27-16/h1-6,9-10,13H,7-8,11H2/b6-3-.
What are the key properties of (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one?
(Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 387.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,5-difluorophenyl)-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 119102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).