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

C12H12F3NO3 — CID 115063945

IUPAC4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-11(6-17)7-19-10(18)16(11)9-4-2-8(3-5-9)12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyNIPRYHYMIAUREM-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.41
Rot. Bonds2

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

4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 115063945) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID115063945
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-11(6-17)7-19-10(18)16(11)9-4-2-8(3-5-9)12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyNIPRYHYMIAUREM-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
CID 115064614
3-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 115064667
5-(hydroxymethyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115064757
7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
CID 161228217
2-[3-methyl-1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxyacetic acid
CID 102657954
3-methyl-3-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 121003172
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
1-phenyl-3-[4-(trifluoromethyl)phenyl]imidazol-2-one
CID 16719924
[1-methyl-6-(trifluoromethyl)-3H-2-benzofuran-1-yl]methanol
CID 90300107
4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione
CID 12904385
5,5-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 3054228
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 115063945) is 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1(CO)COC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NIPRYHYMIAUREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-11(6-17)7-19-10(18)16(11)9-4-2-8(3-5-9)12(13,14)15/h2-5,17H,6-7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 275.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115063945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).