5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine

C15H14N2O3 — CID 2849781

IUPAC5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(C2CNC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H14N2O3/c18-17(19)13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-9,14-16H,10H2
InChIKeyLKTFJJZWCRZHAS-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.95
Rot. Bonds3

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

5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine (PubChem CID 2849781) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
PubChem CID2849781
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine
SMILESO=[N+]([O-])c1ccc(C2CNC(c3ccccc3)O2)cc1
InChIInChI=1S/C15H14N2O3/c18-17(19)13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-9,14-16H,10H2
InChIKeyLKTFJJZWCRZHAS-UHFFFAOYSA-N
XLogP2.95
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.95
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 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The IUPAC name of 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine (CID 2849781) is 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine is O=[N+]([O-])c1ccc(C2CNC(c3ccccc3)O2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
The InChIKey is LKTFJJZWCRZHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-17(19)13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-9,14-16H,10H2.
What are the key properties of 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine?
5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine has a molecular weight of 270.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 2849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).