(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine

C13H17F2NO2 — CID 135226208

IUPAC(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13-/m1/s1
InChIKeyNOJFUWXTISLMFW-NOZJJQNGSA-N
MW257.28 g/mol
LogP2.54
Rot. Bonds4

About (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine

(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (PubChem CID 135226208) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
PubChem CID135226208
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
SMILESCOCCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13-/m1/s1
InChIKeyNOJFUWXTISLMFW-NOZJJQNGSA-N
XLogP2.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine (CID 135226208) is (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine.
What is the SMILES notation for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The canonical SMILES for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is COCCN1C[C@@H](C)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
The InChIKey is NOJFUWXTISLMFW-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9-8-16(5-6-17-2)18-13(9)10-3-4-11(14)12(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t9-,13-/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine?
(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine has a molecular weight of 257.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine is sourced from PubChem (CID 135226208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).