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

C17H18FNO4 — CID 100719919

IUPAC[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C17H18FNO4/c1-22-10-14-5-6-16(23-14)17(21)19-9-13(20)8-15(19)11-3-2-4-12(18)7-11/h2-7,13,15,20H,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyIDNFAUZVRJWYDW-HIFRSBDPSA-N
MW319.33 g/mol
LogP2.51
Rot. Bonds4

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

[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 100719919) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID100719919
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C17H18FNO4/c1-22-10-14-5-6-16(23-14)17(21)19-9-13(20)8-15(19)11-3-2-4-12(18)7-11/h2-7,13,15,20H,8-10H2,1H3/t13-,15+/m1/s1
InChIKeyIDNFAUZVRJWYDW-HIFRSBDPSA-N
XLogP2.51
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 128965921
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129350313
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
CID 129484960
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 129481695
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
(3-cyclopropyl-1,2-oxazol-5-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129480656
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 128972536
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 100721362

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 100719919) is [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)o1.
What is the InChIKey of [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is IDNFAUZVRJWYDW-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-22-10-14-5-6-16(23-14)17(21)19-9-13(20)8-15(19)11-3-2-4-12(18)7-11/h2-7,13,15,20H,8-10H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 319.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 100719919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).