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

C10H11FN2O2 — CID 112646286

IUPAC3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(F)cc(CN2CCOC2=O)c1
InChIInChI=1S/C10H11FN2O2/c11-8-3-7(4-9(12)5-8)6-13-1-2-15-10(13)14/h3-5H,1-2,6,12H2
InChIKeyQQIBXYJFPIOLMK-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.36
Rot. Bonds2

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

3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 112646286) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID112646286
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNc1cc(F)cc(CN2CCOC2=O)c1
InChIInChI=1S/C10H11FN2O2/c11-8-3-7(4-9(12)5-8)6-13-1-2-15-10(13)14/h3-5H,1-2,6,12H2
InChIKeyQQIBXYJFPIOLMK-UHFFFAOYSA-N
XLogP1.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.36
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

5-((((Methylamino)carbonyl)oxy)methyl)-3-(3-(trifluoromethyl)phenyl)-2-oxazolidinone
CID 198478
2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-, carbamate
CID 207131
3-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 1811415
Methyl 4-((3-amino-2-fluorophenyl)methyl)piperazine-1-carboxylate
CID 57597112
3-(3-(Aminomethyl)phenyl)-1,3-oxazolidin-2-one
CID 28740412
3-[4-(Trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 11837255
N-[[3-(3,5-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713382
Ethanol, 2,2'-(m-tolylimino)di-, dicarbamate (ester)
CID 29549
2-Oxazolidinone, 5-hydroxymethyl-3-(m-tolyl)-, carbamate
CID 207146
2-Diethylaminoethyl N-(M-tolyl)carbamate
CID 5053256
3-(2-(4-Aminophenyl)ethyl)-1,3-oxazolidin-2-one
CID 10703476
3-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
CID 18624560

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one (CID 112646286) is 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one is Nc1cc(F)cc(CN2CCOC2=O)c1.
What is the InChIKey of 3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QQIBXYJFPIOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/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-fluorophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(3-amino-5-fluorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 210.21 g/mol, XLogP of 1.36, 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-fluorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 112646286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).