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

C11H14N2O2 — CID 105458735

IUPAC5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(c2ccccc2N)OC1=O
InChIInChI=1S/C11H14N2O2/c1-11(7-13(2)10(14)15-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3
InChIKeyDFFSRWWUIRREMR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.57
Rot. Bonds1

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

5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 105458735) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID105458735
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCN1CC(C)(c2ccccc2N)OC1=O
InChIInChI=1S/C11H14N2O2/c1-11(7-13(2)10(14)15-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3
InChIKeyDFFSRWWUIRREMR-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 105458735) is 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is CN1CC(C)(c2ccccc2N)OC1=O.
What is the InChIKey of 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DFFSRWWUIRREMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(7-13(2)10(14)15-11)8-5-3-4-6-9(8)12/h3-6H,7,12H2,1-2H3.
What are the key properties of 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 105458735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).