1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol

C13H19NO2 — CID 101004490

IUPAC1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
SMILESCC(O)C[C@@H]1C[C@@H](c2ccccc2)N(C)O1
InChIInChI=1S/C13H19NO2/c1-10(15)8-12-9-13(14(2)16-12)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/t10?,12-,13+/m1/s1
InChIKeyYVYNUOWNWMZSCC-SOYIIFOFSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

About 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol

1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol (PubChem CID 101004490) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
PubChem CID101004490
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol
SMILESCC(O)C[C@@H]1C[C@@H](c2ccccc2)N(C)O1
InChIInChI=1S/C13H19NO2/c1-10(15)8-12-9-13(14(2)16-12)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/t10?,12-,13+/m1/s1
InChIKeyYVYNUOWNWMZSCC-SOYIIFOFSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 134984155
N-[[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]benzamide
CID 10494166
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
CID 4678505
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
2-(1-methyl-6-phenylpiperidin-2-yl)-1-phenylethanol
CID 70540871
(3R,5S)-5-butyl-2,3-diphenyl-1,2-oxazolidine
CID 125473975
[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 59007299
(3S,5S)-5-octyl-2,3-diphenyl-1,2-oxazolidine
CID 11002237

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol?
The IUPAC name of 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol (CID 101004490) is 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol.
What is the SMILES notation for 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol?
The canonical SMILES for 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol is CC(O)C[C@@H]1C[C@@H](c2ccccc2)N(C)O1.
What is the InChIKey of 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol?
The InChIKey is YVYNUOWNWMZSCC-SOYIIFOFSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)8-12-9-13(14(2)16-12)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/t10?,12-,13+/m1/s1.
What are the key properties of 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol?
1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]propan-2-ol is sourced from PubChem (CID 101004490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).