(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C17H15F2NO2 — CID 44591773

IUPAC(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyNZMJQXONLWEBCO-LLVKDONJSA-N
MW303.31 g/mol
LogP3.97
Rot. Bonds3

About (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591773) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591773
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1
InChIInChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyNZMJQXONLWEBCO-LLVKDONJSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591773) is (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3F)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is NZMJQXONLWEBCO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 303.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).