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

C11H13FN2O2 — CID 82391857

IUPAC5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-7-10(5-6-13)16-11(14)15/h1-4,10H,5-7,13H2
InChIKeyOXYRXOQPPWEDDF-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.50
Rot. Bonds3

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

5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 82391857) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID82391857
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESNCCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-7-10(5-6-13)16-11(14)15/h1-4,10H,5-7,13H2
InChIKeyOXYRXOQPPWEDDF-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-[5-(2-aminoethyl)-2-oxo-1,3-oxazolidin-3-yl]-3H-1,3-benzoxazol-2-one
CID 82379948
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 145463829
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 82391857) is 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is NCCC1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is OXYRXOQPPWEDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-7-10(5-6-13)16-11(14)15/h1-4,10H,5-7,13H2.
What are the key properties of 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 224.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82391857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).