(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol

C11H15NO2 — CID 11041624

IUPAC(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol
SMILESC[C@@H]1C(O)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3/t8-,10+,11?/m0/s1
InChIKeyRIVZDFZEQICWML-OZRKRLJNSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds1

About (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol

(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol (PubChem CID 11041624) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol.

Molecular Properties

Compound Name(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol
PubChem CID11041624
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol
SMILESC[C@@H]1C(O)ON(C)[C@H]1c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3/t8-,10+,11?/m0/s1
InChIKeyRIVZDFZEQICWML-OZRKRLJNSA-N
XLogP1.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methanol
CID 6933895
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol
CID 10776132
5-Methyl-6-phenyl-4-oxa-5-azaspiro[2.4]heptane
CID 13585889
tert-butyl-dimethyl-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 15685054
(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol?
The IUPAC name of (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol (CID 11041624) is (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol.
What is the SMILES notation for (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol?
The canonical SMILES for (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol is C[C@@H]1C(O)ON(C)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol?
The InChIKey is RIVZDFZEQICWML-OZRKRLJNSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-10(12(2)14-11(8)13)9-6-4-3-5-7-9/h3-8,10-11,13H,1-2H3/t8-,10+,11?/m0/s1.
What are the key properties of (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol?
(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol has a molecular weight of 193.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol is sourced from PubChem (CID 11041624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).