[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

C18H15FN2O3 — CID 51611887

IUPAC[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H15FN2O3/c19-13-6-2-1-5-12(13)14-11-17(24-20-14)18(22)21-9-3-7-15(21)16-8-4-10-23-16/h1-2,4-6,8,10-11,15H,3,7,9H2/t15-/m0/s1
InChIKeyOHPSXRUVXIBLPV-HNNXBMFYSA-N
MW326.33 g/mol
LogP4.05
Rot. Bonds3

About [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51611887) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID51611887
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C18H15FN2O3/c19-13-6-2-1-5-12(13)14-11-17(24-20-14)18(22)21-9-3-7-15(21)16-8-4-10-23-16/h1-2,4-6,8,10-11,15H,3,7,9H2/t15-/m0/s1
InChIKeyOHPSXRUVXIBLPV-HNNXBMFYSA-N
XLogP4.05
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46266441
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 110075989
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 56742487
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 50746969
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129453418
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 51611887) is [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ccco1.
What is the InChIKey of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OHPSXRUVXIBLPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-13-6-2-1-5-12(13)14-11-17(24-20-14)18(22)21-9-3-7-15(21)16-8-4-10-23-16/h1-2,4-6,8,10-11,15H,3,7,9H2/t15-/m0/s1.
What are the key properties of [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51611887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).