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

C18H21NO2 — CID 100968173

IUPAC(3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccc(C)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H21NO2/c1-3-20-18-13-17(15-11-9-14(2)10-12-15)19(21-18)16-7-5-4-6-8-16/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyFMDWMVJELRBNIT-MSOLQXFVSA-N
MW283.37 g/mol
LogP4.24
Rot. Bonds4

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

(3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine (PubChem CID 100968173) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine
PubChem CID100968173
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine
SMILESCCO[C@@H]1C[C@H](c2ccc(C)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H21NO2/c1-3-20-18-13-17(15-11-9-14(2)10-12-15)19(21-18)16-7-5-4-6-8-16/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1
InChIKeyFMDWMVJELRBNIT-MSOLQXFVSA-N
XLogP4.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine (CID 100968173) is (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine is CCO[C@@H]1C[C@H](c2ccc(C)cc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine?
The InChIKey is FMDWMVJELRBNIT-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-20-18-13-17(15-11-9-14(2)10-12-15)19(21-18)16-7-5-4-6-8-16/h4-12,17-18H,3,13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine?
(3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine has a molecular weight of 283.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-ethoxy-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine is sourced from PubChem (CID 100968173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).