3-(4-fluoroanilino)-1,3-oxazolidin-2-one

C9H9FN2O2 — CID 134332019

IUPAC3-(4-fluoroanilino)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2
InChIKeyUNBRDGNDFNHAAE-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.60
Rot. Bonds2

About 3-(4-fluoroanilino)-1,3-oxazolidin-2-one

3-(4-fluoroanilino)-1,3-oxazolidin-2-one (PubChem CID 134332019) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1,3-oxazolidin-2-one
PubChem CID134332019
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name3-(4-fluoroanilino)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Nc1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2
InChIKeyUNBRDGNDFNHAAE-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluoroanilino)-1,3-oxazolidin-2-one (CID 134332019) is 3-(4-fluoroanilino)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluoroanilino)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluoroanilino)-1,3-oxazolidin-2-one is O=C1OCCN1Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)-1,3-oxazolidin-2-one?
The InChIKey is UNBRDGNDFNHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-7-1-3-8(4-2-7)11-12-5-6-14-9(12)13/h1-4,11H,5-6H2.
What are the key properties of 3-(4-fluoroanilino)-1,3-oxazolidin-2-one?
3-(4-fluoroanilino)-1,3-oxazolidin-2-one has a molecular weight of 196.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134332019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).