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

C10H11BrN2O2 — CID 19870959

IUPAC2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one
SMILESNc1ccc(CN2OCCC2=O)c(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(12)2-1-7(9)6-13-10(14)3-4-15-13/h1-2,5H,3-4,6,12H2
InChIKeyCYNOAGBJXIDPOF-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.70
Rot. Bonds2

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

2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one (PubChem CID 19870959) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one
PubChem CID19870959
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one
SMILESNc1ccc(CN2OCCC2=O)c(Br)c1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(12)2-1-7(9)6-13-10(14)3-4-15-13/h1-2,5H,3-4,6,12H2
InChIKeyCYNOAGBJXIDPOF-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.70
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]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one (CID 19870959) is 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one is Nc1ccc(CN2OCCC2=O)c(Br)c1.
What is the InChIKey of 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is CYNOAGBJXIDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-5-8(12)2-1-7(9)6-13-10(14)3-4-15-13/h1-2,5H,3-4,6,12H2.
What are the key properties of 2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one?
2-[(4-amino-2-bromophenyl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 271.11 g/mol, XLogP of 1.70, 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]-1,2-oxazolidin-3-one is sourced from PubChem (CID 19870959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).