3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one

C10H10BrFN2O2 — CID 140522792

IUPAC3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNCc1c(N2CCOC2=O)ccc(Br)c1F
InChIInChI=1S/C10H10BrFN2O2/c11-7-1-2-8(6(5-13)9(7)12)14-3-4-16-10(14)15/h1-2H,3-5,13H2
InChIKeyZDKJPLPAIOXIJQ-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.00
Rot. Bonds2

About 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one

3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 140522792) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID140522792
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC Name3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNCc1c(N2CCOC2=O)ccc(Br)c1F
InChIInChI=1S/C10H10BrFN2O2/c11-7-1-2-8(6(5-13)9(7)12)14-3-4-16-10(14)15/h1-2H,3-5,13H2
InChIKeyZDKJPLPAIOXIJQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10662159, Example 10
CID 138619206
(S)-N-((3-(4-Bromo-3-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 11688529
3-(2-(Aminomethyl)-5-fluorophenyl)oxazolidin-2-one
CID 21069847
(S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)oxazolidin-2-one
CID 44607680
(S)-N-((3-(4-Bromo-3-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide;(S)-N-((3-(4-bromo-3-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 53400870
tert-butyl N-[[(5S)-3-(4-bromo-2,3-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 57582266
(5S)-3-(4-bromo-3-fluorophenyl)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59411233
tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate
CID 66823682
(5R)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 67278888
4-(Aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 67278889
2-Methylpropyl 5-bromo-4-fluoro-2,3-dihydroindole-1-carboxylate
CID 67384244
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 140522792) is 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one is NCc1c(N2CCOC2=O)ccc(Br)c1F.
What is the InChIKey of 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZDKJPLPAIOXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-7-1-2-8(6(5-13)9(7)12)14-3-4-16-10(14)15/h1-2H,3-5,13H2.
What are the key properties of 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one?
3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 289.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-bromo-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 140522792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).