4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine

C11H14N2O2 — CID 45094832

IUPAC4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine
SMILESCCC1COC(c2ccccc2)N1N=O
InChIInChI=1S/C11H14N2O2/c1-2-10-8-15-11(13(10)12-14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyQIIXQCJTQZCWLH-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.48
Rot. Bonds3

About 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine

4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine (PubChem CID 45094832) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine
PubChem CID45094832
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine
SMILESCCC1COC(c2ccccc2)N1N=O
InChIInChI=1S/C11H14N2O2/c1-2-10-8-15-11(13(10)12-14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyQIIXQCJTQZCWLH-UHFFFAOYSA-N
XLogP2.48
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze 4-ethyl-3-nitroso-2-phenyl-1,3-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 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine (CID 45094832) is 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine is CCC1COC(c2ccccc2)N1N=O.
What is the InChIKey of 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine?
The InChIKey is QIIXQCJTQZCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-10-8-15-11(13(10)12-14)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine?
4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine has a molecular weight of 206.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 45094832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).