[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C16H17FN2O4 — CID 129350313

IUPAC[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)no1
InChIInChI=1S/C16H17FN2O4/c1-22-9-13-7-14(18-23-13)16(21)19-8-12(20)6-15(19)10-3-2-4-11(17)5-10/h2-5,7,12,15,20H,6,8-9H2,1H3/t12-,15-/m1/s1
InChIKeyPOIRWSNCJWNKPL-IUODEOHRSA-N
MW320.32 g/mol
LogP1.91
Rot. Bonds4

About [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 129350313) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID129350313
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)no1
InChIInChI=1S/C16H17FN2O4/c1-22-9-13-7-14(18-23-13)16(21)19-8-12(20)6-15(19)10-3-2-4-11(17)5-10/h2-5,7,12,15,20H,6,8-9H2,1H3/t12-,15-/m1/s1
InChIKeyPOIRWSNCJWNKPL-IUODEOHRSA-N
XLogP1.91
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 129481755
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129481472
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129480656
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
CID 129481689
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
CID 129484960
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 129481668
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 129481796
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 128972537
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 128965921

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 129350313) is [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)no1.
What is the InChIKey of [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is POIRWSNCJWNKPL-IUODEOHRSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-22-9-13-7-14(18-23-13)16(21)19-8-12(20)6-15(19)10-3-2-4-11(17)5-10/h2-5,7,12,15,20H,6,8-9H2,1H3/t12-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 320.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 129350313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).