(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine

C18H18F3NO2 — CID 135054650

IUPAC(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H18F3NO2/c1-2-23-17-12-16(22(24-17)15-6-4-3-5-7-15)13-8-10-14(11-9-13)18(19,20)21/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyDXOQUDFAVGTHSQ-IAGOWNOFSA-N
MW337.34 g/mol
LogP4.95
Rot. Bonds4

About (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine

(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine (PubChem CID 135054650) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
PubChem CID135054650
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccccc2)O1
InChIInChI=1S/C18H18F3NO2/c1-2-23-17-12-16(22(24-17)15-6-4-3-5-7-15)13-8-10-14(11-9-13)18(19,20)21/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1
InChIKeyDXOQUDFAVGTHSQ-IAGOWNOFSA-N
XLogP4.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The IUPAC name of (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine (CID 135054650) is (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine is CCO[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccccc2)O1.
What is the InChIKey of (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The InChIKey is DXOQUDFAVGTHSQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-2-23-17-12-16(22(24-17)15-6-4-3-5-7-15)13-8-10-14(11-9-13)18(19,20)21/h3-11,16-17H,2,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine?
(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine has a molecular weight of 337.34 g/mol, XLogP of 4.95, 4 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-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine is sourced from PubChem (CID 135054650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).