2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

C15H12Cl2N2O3 — CID 69234335

IUPAC2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(C2CNC(c3c(Cl)cccc3Cl)O2)cc1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-7,13,15,18H,8H2
InChIKeyXRAHMHXFWMTIKS-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.26
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine

2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (PubChem CID 69234335) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
PubChem CID69234335
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(C2CNC(c3c(Cl)cccc3Cl)O2)cc1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-7,13,15,18H,8H2
InChIKeyXRAHMHXFWMTIKS-UHFFFAOYSA-N
XLogP4.26
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine (CID 69234335) is 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is O=[N+]([O-])c1ccc(C2CNC(c3c(Cl)cccc3Cl)O2)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
The InChIKey is XRAHMHXFWMTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-2-1-3-12(17)14(11)15-18-8-13(22-15)9-4-6-10(7-5-9)19(20)21/h1-7,13,15,18H,8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine?
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine has a molecular weight of 339.18 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-oxazolidine is sourced from PubChem (CID 69234335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).