2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one

C13H18N2O2 — CID 105494586

IUPAC2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(C)(C)C1CC(=O)N(c2cccc(N)c2)O1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)11-8-12(16)15(17-11)10-6-4-5-9(14)7-10/h4-7,11H,8,14H2,1-3H3
InChIKeyNZTLYVNHTQFHQE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.35
Rot. Bonds1

About 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one

2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one (PubChem CID 105494586) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
PubChem CID105494586
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
SMILESCC(C)(C)C1CC(=O)N(c2cccc(N)c2)O1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)11-8-12(16)15(17-11)10-6-4-5-9(14)7-10/h4-7,11H,8,14H2,1-3H3
InChIKeyNZTLYVNHTQFHQE-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one 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 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one (CID 105494586) is 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one is CC(C)(C)C1CC(=O)N(c2cccc(N)c2)O1.
What is the InChIKey of 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one?
The InChIKey is NZTLYVNHTQFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)11-8-12(16)15(17-11)10-6-4-5-9(14)7-10/h4-7,11H,8,14H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one?
2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one has a molecular weight of 234.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105494586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).