4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one

C19H17F2NO3 — CID 69114165

IUPAC4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H17F2NO3/c20-16-8-6-14(11-17(16)21)7-9-18(23)22-15(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-6,8,11,15H,7,9-10,12H2
InChIKeyBMFRXHGNKPBUGB-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.49
Rot. Bonds5

About 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 69114165) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID69114165
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C19H17F2NO3/c20-16-8-6-14(11-17(16)21)7-9-18(23)22-15(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-6,8,11,15H,7,9-10,12H2
InChIKeyBMFRXHGNKPBUGB-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 69114165) is 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1ccc(F)c(F)c1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BMFRXHGNKPBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-16-8-6-14(11-17(16)21)7-9-18(23)22-15(12-25-19(22)24)10-13-4-2-1-3-5-13/h1-6,8,11,15H,7,9-10,12H2.
What are the key properties of 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 345.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69114165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).