3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one

C10H11BrN2O2 — CID 103350065

IUPAC3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(Br)cc(CN2CCOC2=O)c1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-7(4-9(12)5-8)6-13-1-2-15-10(13)14/h3-5H,1-2,6,12H2
InChIKeyZGPPPLSAHRXFFH-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.98
Rot. Bonds2

About 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one

3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 103350065) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID103350065
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(Br)cc(CN2CCOC2=O)c1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-7(4-9(12)5-8)6-13-1-2-15-10(13)14/h3-5H,1-2,6,12H2
InChIKeyZGPPPLSAHRXFFH-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
CID 18624560
3-(3-Bromo-5-(trifluoromethyl)phenyl)-5-methyloxazolidin-2-one
CID 90019801
3-[2-(Aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 140522792
3-[(3-Amino-4-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 105463801
3-[(3-Amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
3-(5-Bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one
CID 107592737
3-[(3-Amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 112646286
3-(4-Bromo-5-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one
CID 116462190
3-[3-(2-Bromoethyl)phenyl]-1,3-oxazolidin-2-one
CID 54475122
(5S)-3-(4-bromo-3-methylphenyl)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59411214
3-(4-Bromo-3-methyl-phenyl)-oxazolidin-2-one
CID 66817851
3-(4-Bromo-3-methylphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 66818013

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one (CID 103350065) is 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one is Nc1cc(Br)cc(CN2CCOC2=O)c1.
What is the InChIKey of 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZGPPPLSAHRXFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-3-7(4-9(12)5-8)6-13-1-2-15-10(13)14/h3-5H,1-2,6,12H2.
What are the key properties of 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 103350065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).