[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol

C12H14F3NO3 — CID 90769782

IUPAC[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)CO[C@H](c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)9-3-1-8(2-4-9)10-16-11(5-17,6-18)7-19-10/h1-4,10,16-18H,5-7H2/t10-/m1/s1
InChIKeyBMYIQMLBXYIGCN-SNVBAGLBSA-N
MW277.24 g/mol
LogP1.05
Rot. Bonds3

About [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol

[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol (PubChem CID 90769782) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
PubChem CID90769782
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
SMILESOCC1(CO)CO[C@H](c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)9-3-1-8(2-4-9)10-16-11(5-17,6-18)7-19-10/h1-4,10,16-18H,5-7H2/t10-/m1/s1
InChIKeyBMYIQMLBXYIGCN-SNVBAGLBSA-N
XLogP1.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol (CID 90769782) is [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol is OCC1(CO)CO[C@H](c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol?
The InChIKey is BMYIQMLBXYIGCN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)9-3-1-8(2-4-9)10-16-11(5-17,6-18)7-19-10/h1-4,10,16-18H,5-7H2/t10-/m1/s1.
What are the key properties of [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol?
[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol has a molecular weight of 277.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 90769782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).