5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one

C10H10F2N2O3 — CID 117095688

IUPAC5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(F)c(F)c1OCC1CNC(=O)O1
InChIInChI=1S/C10H10F2N2O3/c11-6-1-2-7(13)9(8(6)12)16-4-5-3-14-10(15)17-5/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyKBJBJOPQJWLWAN-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.03
Rot. Bonds3

About 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one

5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 117095688) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID117095688
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccc(F)c(F)c1OCC1CNC(=O)O1
InChIInChI=1S/C10H10F2N2O3/c11-6-1-2-7(13)9(8(6)12)16-4-5-3-14-10(15)17-5/h1-2,5H,3-4,13H2,(H,14,15)
InChIKeyKBJBJOPQJWLWAN-UHFFFAOYSA-N
XLogP1.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one (CID 117095688) is 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one is Nc1ccc(F)c(F)c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KBJBJOPQJWLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-6-1-2-7(13)9(8(6)12)16-4-5-3-14-10(15)17-5/h1-2,5H,3-4,13H2,(H,14,15).
What are the key properties of 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one?
5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 244.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2,3-difluorophenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 117095688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).