(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C16H14FNO4 — CID 155004564

IUPAC(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C16H14FNO4/c17-15-7-11(18-8-13(9-19)22-16(18)21)3-6-14(15)10-1-4-12(20)5-2-10/h1-7,13,19-20H,8-9H2/t13-/m1/s1
InChIKeyBAEALEUVJNVSGJ-CYBMUJFWSA-N
MW303.29 g/mol
LogP2.52
Rot. Bonds3

About (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 155004564) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID155004564
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C16H14FNO4/c17-15-7-11(18-8-13(9-19)22-16(18)21)3-6-14(15)10-1-4-12(20)5-2-10/h1-7,13,19-20H,8-9H2/t13-/m1/s1
InChIKeyBAEALEUVJNVSGJ-CYBMUJFWSA-N
XLogP2.52
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 155004564) is (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(O)cc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is BAEALEUVJNVSGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14FNO4/c17-15-7-11(18-8-13(9-19)22-16(18)21)3-6-14(15)10-1-4-12(20)5-2-10/h1-7,13,19-20H,8-9H2/t13-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 303.29 g/mol, XLogP of 2.52, 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-(4-hydroxyphenyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 155004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).