5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one

C14H17FN2O3 — CID 107696499

IUPAC5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2ccc(F)cc2CNC2CC2)O1
InChIInChI=1S/C14H17FN2O3/c15-10-1-4-13(9(5-10)6-16-11-2-3-11)19-8-12-7-17-14(18)20-12/h1,4-5,11-12,16H,2-3,6-8H2,(H,17,18)
InChIKeyBRDNBOFUEZIRER-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.56
Rot. Bonds6

About 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 107696499) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID107696499
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2ccc(F)cc2CNC2CC2)O1
InChIInChI=1S/C14H17FN2O3/c15-10-1-4-13(9(5-10)6-16-11-2-3-11)19-8-12-7-17-14(18)20-12/h1,4-5,11-12,16H,2-3,6-8H2,(H,17,18)
InChIKeyBRDNBOFUEZIRER-UHFFFAOYSA-N
XLogP1.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one (CID 107696499) is 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one is O=C1NCC(COc2ccc(F)cc2CNC2CC2)O1.
What is the InChIKey of 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is BRDNBOFUEZIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-1-4-13(9(5-10)6-16-11-2-3-11)19-8-12-7-17-14(18)20-12/h1,4-5,11-12,16H,2-3,6-8H2,(H,17,18).
What are the key properties of 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 280.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107696499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).