[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C21H17FN4O3 — CID 124761269

IUPAC[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C21H17FN4O3/c22-16-5-3-13(4-6-16)15-10-17(23-11-15)21(27)26-8-7-14(12-26)19-24-20(29-25-19)18-2-1-9-28-18/h1-6,9-11,14,23H,7-8,12H2/t14-/m1/s1
InChIKeyXUYOHXRVFONJRK-CQSZACIVSA-N
MW392.39 g/mol
LogP4.09
Rot. Bonds4

About [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 124761269) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID124761269
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1
InChIInChI=1S/C21H17FN4O3/c22-16-5-3-13(4-6-16)15-10-17(23-11-15)21(27)26-8-7-14(12-26)19-24-20(29-25-19)18-2-1-9-28-18/h1-6,9-11,14,23H,7-8,12H2/t14-/m1/s1
InChIKeyXUYOHXRVFONJRK-CQSZACIVSA-N
XLogP4.09
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 124759258
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 124892725
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 124891903
[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 121019657
(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-(4-fluorophenyl)azepan-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 121146282
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356808
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 90586698

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 124761269) is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1.
What is the InChIKey of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is XUYOHXRVFONJRK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17FN4O3/c22-16-5-3-13(4-6-16)15-10-17(23-11-15)21(27)26-8-7-14(12-26)19-24-20(29-25-19)18-2-1-9-28-18/h1-6,9-11,14,23H,7-8,12H2/t14-/m1/s1.
What are the key properties of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 392.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124761269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).