(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid

C14H14FNO5 — CID 69176762

IUPAC(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ccc(C3CC(O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14FNO5/c15-11-5-8(1-2-10(11)7-3-9(17)4-7)16-6-12(13(18)19)21-14(16)20/h1-2,5,7,9,12,17H,3-4,6H2,(H,18,19)/t7?,9?,12-/m1/s1
InChIKeyVSOPYJAVUBFDFD-YHBRXECLSA-N
MW295.27 g/mol
LogP1.47
Rot. Bonds3

About (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid

(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 69176762) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
PubChem CID69176762
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ccc(C3CC(O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H14FNO5/c15-11-5-8(1-2-10(11)7-3-9(17)4-7)16-6-12(13(18)19)21-14(16)20/h1-2,5,7,9,12,17H,3-4,6H2,(H,18,19)/t7?,9?,12-/m1/s1
InChIKeyVSOPYJAVUBFDFD-YHBRXECLSA-N
XLogP1.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746248
(5R)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide;(5R)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 159385932
3-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 84735417
(5R)-3-[4-[(1R,5S)-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58978127
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
3-[3-fluoro-4-[(4R)-2-hydroxythian-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70196946
(5R)-3-[3-fluoro-4-(4-phenylmethoxycarbonylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 90829570
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994588
(5R)-3-[4-(3,6-dihydro-2H-pyran-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54325845
N-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
dimethylphosphane;N-[[(5S)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 161488217

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 69176762) is (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid is O=C(O)[C@H]1CN(c2ccc(C3CC(O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is VSOPYJAVUBFDFD-YHBRXECLSA-N. The full InChI is InChI=1S/C14H14FNO5/c15-11-5-8(1-2-10(11)7-3-9(17)4-7)16-6-12(13(18)19)21-14(16)20/h1-2,5,7,9,12,17H,3-4,6H2,(H,18,19)/t7?,9?,12-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid?
(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 69176762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).