3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C12H14FNO3 — CID 72887301

IUPAC3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2C(=O)OCC2CO)c1F
InChIInChI=1S/C12H14FNO3/c1-8-3-2-4-9(11(8)13)5-14-10(6-15)7-17-12(14)16/h2-4,10,15H,5-7H2,1H3
InChIKeyLGNSUMAFWOGRBO-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.45
Rot. Bonds3

About 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 72887301) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID72887301
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(CN2C(=O)OCC2CO)c1F
InChIInChI=1S/C12H14FNO3/c1-8-3-2-4-9(11(8)13)5-14-10(6-15)7-17-12(14)16/h2-4,10,15H,5-7H2,1H3
InChIKeyLGNSUMAFWOGRBO-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 72887301) is 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is Cc1cccc(CN2C(=O)OCC2CO)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is LGNSUMAFWOGRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-3-2-4-9(11(8)13)5-14-10(6-15)7-17-12(14)16/h2-4,10,15H,5-7H2,1H3.
What are the key properties of 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methylphenyl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72887301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).