2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

C12H15BrN2O2 — CID 14550851

IUPAC2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C12H15BrN2O2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(14)5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyBUUZNUBHSKHZQZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.33
Rot. Bonds2

About 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 14550851) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID14550851
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccc(N)cc2Br)C1=O
InChIInChI=1S/C12H15BrN2O2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(14)5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyBUUZNUBHSKHZQZ-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.33
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 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 14550851) is 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2ccc(N)cc2Br)C1=O.
What is the InChIKey of 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is BUUZNUBHSKHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(2)7-17-15(11(12)16)6-8-3-4-9(14)5-10(8)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 299.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 14550851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).