3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine

C10H12N2O3 — CID 11171803

IUPAC3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine
SMILESCN1COC(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12N2O3/c1-11-6-10(15-7-11)8-4-2-3-5-9(8)12(13)14/h2-5,10H,6-7H2,1H3
InChIKeyVDENWUWJUBHRGF-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.56
Rot. Bonds2

About 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine

3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine (PubChem CID 11171803) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine
PubChem CID11171803
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine
SMILESCN1COC(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H12N2O3/c1-11-6-10(15-7-11)8-4-2-3-5-9(8)12(13)14/h2-5,10H,6-7H2,1H3
InChIKeyVDENWUWJUBHRGF-UHFFFAOYSA-N
XLogP1.56
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine?
The IUPAC name of 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine (CID 11171803) is 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine.
What is the SMILES notation for 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine?
The canonical SMILES for 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine is CN1COC(c2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine?
The InChIKey is VDENWUWJUBHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-6-10(15-7-11)8-4-2-3-5-9(8)12(13)14/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine?
3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine has a molecular weight of 208.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-nitrophenyl)-1,3-oxazolidine is sourced from PubChem (CID 11171803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).