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

C17H15ClFNO2 — CID 42629118

IUPAC(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyRNJMIJHYCDJJMZ-LLVKDONJSA-N
MW319.76 g/mol
LogP4.49
Rot. Bonds3

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

(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 42629118) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID42629118
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyRNJMIJHYCDJJMZ-LLVKDONJSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 42629118) is (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is RNJMIJHYCDJJMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)14-6-7-16(19)15(18)8-14/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 319.76 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 42629118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).