2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol

C13H19NO2 — CID 102331412

IUPAC2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
SMILESC[C@H]1[C@@H](c2ccccc2)OC(CCO)N1C
InChIInChI=1S/C13H19NO2/c1-10-13(11-6-4-3-5-7-11)16-12(8-9-15)14(10)2/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12?,13-/m0/s1
InChIKeyGZCYPYBOUBTISG-VLIRHVTKSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds3

About 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol

2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol (PubChem CID 102331412) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
PubChem CID102331412
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
SMILESC[C@H]1[C@@H](c2ccccc2)OC(CCO)N1C
InChIInChI=1S/C13H19NO2/c1-10-13(11-6-4-3-5-7-11)16-12(8-9-15)14(10)2/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12?,13-/m0/s1
InChIKeyGZCYPYBOUBTISG-VLIRHVTKSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
CID 11349970
(2S,4S,5S)-2-(2-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 57282444
(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 100919390
4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
CID 74028862
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
4-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]-2-methoxyphenol
CID 10804094
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
(2R,4R,5S)-2-[(1S,5S,6S)-6-bicyclo[3.1.0]hex-2-enyl]-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 125034200

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol?
The IUPAC name of 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol (CID 102331412) is 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol?
The canonical SMILES for 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol is C[C@H]1[C@@H](c2ccccc2)OC(CCO)N1C.
What is the InChIKey of 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol?
The InChIKey is GZCYPYBOUBTISG-VLIRHVTKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-13(11-6-4-3-5-7-11)16-12(8-9-15)14(10)2/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12?,13-/m0/s1.
What are the key properties of 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol?
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol is sourced from PubChem (CID 102331412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).