[(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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Related Compounds

[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
CID 101166026
[(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 89362800
[(3S,5S,7aR)-5-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 70902479
[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
CID 171373474
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine;hydrochloride
CID 117228332
[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxan-2-yl]methanol
CID 125455976
trans-(1S,2R)-1-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 165456562
[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062
[(3R,5S)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanethiol
CID 53386966
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442

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).