3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one

C10H12FN3O2 — CID 77423554

IUPAC3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(N)c(F)c2)C(=O)O1
InChIInChI=1S/C10H12FN3O2/c11-8-3-6(1-2-9(8)13)14-5-7(4-12)16-10(14)15/h1-3,7H,4-5,12-13H2
InChIKeyXJBPYVCFFIIHOI-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.69
Rot. Bonds2

About 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one

3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one (PubChem CID 77423554) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
PubChem CID77423554
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(N)c(F)c2)C(=O)O1
InChIInChI=1S/C10H12FN3O2/c11-8-3-6(1-2-9(8)13)14-5-7(4-12)16-10(14)15/h1-3,7H,4-5,12-13H2
InChIKeyXJBPYVCFFIIHOI-UHFFFAOYSA-N
XLogP0.69
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
CID 142879110
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidin-2-one
CID 70917959
5-(aminomethyl)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 69406859
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(furan-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 129070942
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one (CID 77423554) is 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one is NCC1CN(c2ccc(N)c(F)c2)C(=O)O1.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one?
The InChIKey is XJBPYVCFFIIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-3-6(1-2-9(8)13)14-5-7(4-12)16-10(14)15/h1-3,7H,4-5,12-13H2.
What are the key properties of 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one?
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 225.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 77423554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).