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

C10H11FN2O2 — CID 82015368

IUPAC3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(F)ccc1N1CCOC1=O
InChIInChI=1S/C10H11FN2O2/c11-8-1-2-9(7(5-8)6-12)13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyGARYCWFHQQIMOY-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.24
Rot. Bonds2

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

3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 82015368) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID82015368
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
SMILESNCc1cc(F)ccc1N1CCOC1=O
InChIInChI=1S/C10H11FN2O2/c11-8-1-2-9(7(5-8)6-12)13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2
InChIKeyGARYCWFHQQIMOY-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one (CID 82015368) is 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one is NCc1cc(F)ccc1N1CCOC1=O.
What is the InChIKey of 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is GARYCWFHQQIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-1-2-9(7(5-8)6-12)13-3-4-15-10(13)14/h1-2,5H,3-4,6,12H2.
What are the key properties of 3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one?
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 210.21 g/mol, XLogP of 1.24, 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-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 82015368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).