4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

C15H17F2NO4 — CID 21187631

IUPAC4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(F)c(F)c2)C(COC2CCCCO2)O1
InChIInChI=1S/C15H17F2NO4/c16-10-5-4-9(7-11(10)17)14-12(22-15(19)18-14)8-21-13-3-1-2-6-20-13/h4-5,7,12-14H,1-3,6,8H2,(H,18,19)
InChIKeyULLYFCJZVJYIHP-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.66
Rot. Bonds4

About 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one

4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 21187631) has the molecular formula C15H17F2NO4 and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID21187631
Molecular FormulaC15H17F2NO4
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Name4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(F)c(F)c2)C(COC2CCCCO2)O1
InChIInChI=1S/C15H17F2NO4/c16-10-5-4-9(7-11(10)17)14-12(22-15(19)18-14)8-21-13-3-1-2-6-20-13/h4-5,7,12-14H,1-3,6,8H2,(H,18,19)
InChIKeyULLYFCJZVJYIHP-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (CID 21187631) is 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is O=C1NC(c2ccc(F)c(F)c2)C(COC2CCCCO2)O1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ULLYFCJZVJYIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4/c16-10-5-4-9(7-11(10)17)14-12(22-15(19)18-14)8-21-13-3-1-2-6-20-13/h4-5,7,12-14H,1-3,6,8H2,(H,18,19).
What are the key properties of 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?
4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 313.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).