(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one

C20H19F2NO4 — CID 59455537

IUPAC(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1cc(F)c(O)c(F)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H19F2NO4/c1-12(7-14-9-16(21)18(24)17(22)10-14)19(25)23-15(11-27-20(23)26)8-13-5-3-2-4-6-13/h2-6,9-10,12,15,24H,7-8,11H2,1H3/t12-,15-/m1/s1
InChIKeyNURXHBSDJJHWAD-IUODEOHRSA-N
MW375.37 g/mol
LogP3.44
Rot. Bonds5

About (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 59455537) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID59455537
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1cc(F)c(O)c(F)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H19F2NO4/c1-12(7-14-9-16(21)18(24)17(22)10-14)19(25)23-15(11-27-20(23)26)8-13-5-3-2-4-6-13/h2-6,9-10,12,15,24H,7-8,11H2,1H3/t12-,15-/m1/s1
InChIKeyNURXHBSDJJHWAD-IUODEOHRSA-N
XLogP3.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[6-(4-Hydroxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141208
3-[6-(3-Fluoro-4-hydroxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145965548
3-[6-(3-Hydroxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145974042
(3S*,4R*)-4-(3-fluorophenyl)-1-[(4-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 70714395
3-[6-(2-Hydroxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145973455
(4S)-4-benzyl-3-[(2S)-3,3,3-trifluoro-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]propanoyl]-1,3-oxazolidin-2-one
CID 139039335
2-[3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 118986769
2-[3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 118986770
3-(4-Hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
CID 118986772
2-[3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 118986774
2-[3-(4-Hydroxyphenyl)-4-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
CID 118986775
(4S)-4-benzyl-3-[(3R)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 90694992

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 59455537) is (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@H](Cc1cc(F)c(O)c(F)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is NURXHBSDJJHWAD-IUODEOHRSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-12(7-14-9-16(21)18(24)17(22)10-14)19(25)23-15(11-27-20(23)26)8-13-5-3-2-4-6-13/h2-6,9-10,12,15,24H,7-8,11H2,1H3/t12-,15-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 375.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-3-(3,5-difluoro-4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59455537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).