3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C11H11F3N2O2 — CID 112556092

IUPAC3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(C(F)(F)F)ccc1N1CCOC1=O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-1-2-9(7(5-8)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyUHVJGYJHJNLNBB-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.12
Rot. Bonds2

About 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 112556092) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID112556092
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(C(F)(F)F)ccc1N1CCOC1=O
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-1-2-9(7(5-8)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2
InChIKeyUHVJGYJHJNLNBB-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 901132
US10030020, Example 140
CID 132114647
US10030020, Example 129
CID 132114762
US10030020, Example 130
CID 132114854
5-((((Methylamino)carbonyl)oxy)methyl)-3-(3-(trifluoromethyl)phenyl)-2-oxazolidinone
CID 198478
2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-, carbamate
CID 207131
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
3-(3-(Aminomethyl)phenyl)-1,3-oxazolidin-2-one
CID 28740412
3-[4-(Trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 11837255
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011280
N-[[(5S)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011307
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713382

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 112556092) is 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is NCc1cc(C(F)(F)F)ccc1N1CCOC1=O.
What is the InChIKey of 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UHVJGYJHJNLNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-1-2-9(7(5-8)6-15)16-3-4-18-10(16)17/h1-2,5H,3-4,6,15H2.
What are the key properties of 3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 260.21 g/mol, XLogP of 2.12, 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-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112556092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).