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

C19H17F2NO3 — CID 58388236

IUPAC(4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1Cc1ccccc1
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/t15-/m1/s1
InChIKeyBMFRXHGNKPBUGB-OAHLLOKOSA-N
MW345.35 g/mol
LogP3.49
Rot. Bonds5

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

(4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 58388236) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID58388236
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name(4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1Cc1ccccc1
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/t15-/m1/s1
InChIKeyBMFRXHGNKPBUGB-OAHLLOKOSA-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 (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 58388236) is (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BMFRXHGNKPBUGB-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-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 (4R)-4-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58388236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).