(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C15H19FN2O3 — CID 10732536

IUPAC(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-8-11(18-9-12(10-19)21-15(18)20)4-5-14(13)17-6-2-1-3-7-17/h4-5,8,12,19H,1-3,6-7,9-10H2/t12-/m1/s1
InChIKeyVQYPSRJZNUMTQL-GFCCVEGCSA-N
MW294.33 g/mol
LogP2.13
Rot. Bonds3

About (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10732536) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID10732536
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-8-11(18-9-12(10-19)21-15(18)20)4-5-14(13)17-6-2-1-3-7-17/h4-5,8,12,19H,1-3,6-7,9-10H2/t12-/m1/s1
InChIKeyVQYPSRJZNUMTQL-GFCCVEGCSA-N
XLogP2.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 10732536) is (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VQYPSRJZNUMTQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-8-11(18-9-12(10-19)21-15(18)20)4-5-14(13)17-6-2-1-3-7-17/h4-5,8,12,19H,1-3,6-7,9-10H2/t12-/m1/s1.
What are the key properties of (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 294.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-piperidin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10732536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).