(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine

C17H17ClN2O4 — CID 24854531

IUPAC(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-17-11-16(12-3-7-15(8-4-12)20(21)22)19(24-17)14-9-5-13(18)6-10-14/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1
InChIKeyGDFXGHCMISQMJL-IAGOWNOFSA-N
MW348.79 g/mol
LogP4.49
Rot. Bonds5

About (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine

(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine (PubChem CID 24854531) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine
PubChem CID24854531
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine
SMILESCCO[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H17ClN2O4/c1-2-23-17-11-16(12-3-7-15(8-4-12)20(21)22)19(24-17)14-9-5-13(18)6-10-14/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1
InChIKeyGDFXGHCMISQMJL-IAGOWNOFSA-N
XLogP4.49
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-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 (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine?
The IUPAC name of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine (CID 24854531) is (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine is CCO[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Cl)cc2)O1.
What is the InChIKey of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine?
The InChIKey is GDFXGHCMISQMJL-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-23-17-11-16(12-3-7-15(8-4-12)20(21)22)19(24-17)14-9-5-13(18)6-10-14/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine?
(3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine has a molecular weight of 348.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-2-(4-chlorophenyl)-5-ethoxy-3-(4-nitrophenyl)-1,2-oxazolidine is sourced from PubChem (CID 24854531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).