(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine

C13H19NO2 — CID 23252843

IUPAC(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C)cc2)N(C)O1
InChIInChI=1S/C13H19NO2/c1-4-15-13-9-12(14(3)16-13)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9H2,1-3H3/t12-,13-/m1/s1
InChIKeySOUSDAHMHWZZMU-CHWSQXEVSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds3

About (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine

(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine (PubChem CID 23252843) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine
PubChem CID23252843
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C)cc2)N(C)O1
InChIInChI=1S/C13H19NO2/c1-4-15-13-9-12(14(3)16-13)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9H2,1-3H3/t12-,13-/m1/s1
InChIKeySOUSDAHMHWZZMU-CHWSQXEVSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-Trimethyl-alpha-phenyl-m-dioxane-5-methylamine
CID 12370021
1-(2-ethyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 12370022
N,N-dimethyl-1-phenyl-1-(2-propan-2-yl-1,3-dioxan-5-yl)methanamine;hydrochloride
CID 12370024
1-[1,3-Dioxan-5-yl(phenyl)methyl]pyrrolidine;hydrochloride
CID 12369993
N,N-dimethyl-1-(2-methyl-1,3-dioxan-5-yl)-1-(4-methylphenyl)methanamine;hydrochloride
CID 12370031
1-(2-cyclopentyl-1,3-dioxan-5-yl)-N,N-dimethyl-1-phenylmethanamine
CID 90672815
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
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
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine?
The IUPAC name of (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine (CID 23252843) is (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine is CCO[C@H]1C[C@H](c2ccc(C)cc2)N(C)O1.
What is the InChIKey of (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine?
The InChIKey is SOUSDAHMHWZZMU-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-15-13-9-12(14(3)16-13)11-7-5-10(2)6-8-11/h5-8,12-13H,4,9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine?
(3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine has a molecular weight of 221.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-ethoxy-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine is sourced from PubChem (CID 23252843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).