2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one

C11H14N2O2 — CID 105458867

IUPAC2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CC(=O)N(c2ccc(N)cc2)O1
InChIInChI=1S/C11H14N2O2/c1-11(2)7-10(14)13(15-11)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyYMTINLBCYDLXJE-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.72
Rot. Bonds1

About 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one

2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one (PubChem CID 105458867) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one
PubChem CID105458867
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CC(=O)N(c2ccc(N)cc2)O1
InChIInChI=1S/C11H14N2O2/c1-11(2)7-10(14)13(15-11)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyYMTINLBCYDLXJE-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one (CID 105458867) is 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one is CC1(C)CC(=O)N(c2ccc(N)cc2)O1.
What is the InChIKey of 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is YMTINLBCYDLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)7-10(14)13(15-11)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one?
2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 206.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,5-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).