3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C11H11ClFNO3 — CID 72848549

IUPAC3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1Cc1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c12-9-3-1-2-7(10(9)13)4-14-8(5-15)6-17-11(14)16/h1-3,8,15H,4-6H2
InChIKeyLWCUXDOXGLUJRK-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.79
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 72848549) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID72848549
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1Cc1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c12-9-3-1-2-7(10(9)13)4-14-8(5-15)6-17-11(14)16/h1-3,8,15H,4-6H2
InChIKeyLWCUXDOXGLUJRK-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 72848549) is 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OCC(CO)N1Cc1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LWCUXDOXGLUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c12-9-3-1-2-7(10(9)13)4-14-8(5-15)6-17-11(14)16/h1-3,8,15H,4-6H2.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 259.66 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72848549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).