5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C13H14F3NO3 — CID 115064757

IUPAC5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1(CO)CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H14F3NO3/c1-12(8-18)7-17(11(19)20-12)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3
InChIKeyWRRYDRZVACGJQC-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.41
Rot. Bonds3

About 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 115064757) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID115064757
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC1(CO)CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1
InChIInChI=1S/C13H14F3NO3/c1-12(8-18)7-17(11(19)20-12)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3
InChIKeyWRRYDRZVACGJQC-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 115064757) is 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is CC1(CO)CN(Cc2ccc(C(F)(F)F)cc2)C(=O)O1.
What is the InChIKey of 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WRRYDRZVACGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-12(8-18)7-17(11(19)20-12)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,18H,6-8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 289.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).