(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane

C22H27Cl2NO2 — CID 158004525

IUPAC(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
SMILESC.C[C@H](CC[C@H]1CN([C@@H](C)c2ccc(Cl)cc2)C(=O)O1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2NO2.CH4/c1-14(16-4-8-18(22)9-5-16)3-12-20-13-24(21(25)26-20)15(2)17-6-10-19(23)11-7-17;/h4-11,14-15,20H,3,12-13H2,1-2H3;1H4/t14-,15+,20+;/m1./s1
InChIKeyFECXWWGHGYYANR-MGDWOKRKSA-N
MW408.37 g/mol
LogP7.10
Rot. Bonds6

About (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane

(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane (PubChem CID 158004525) has the molecular formula C22H27Cl2NO2 and a molecular weight of 408.37 g/mol. Its IUPAC name is (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane.

Molecular Properties

Compound Name(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
PubChem CID158004525
Molecular FormulaC22H27Cl2NO2
Molecular Weight408.37 g/mol
Exact Mass407.14
IUPAC Name(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane
SMILESC.C[C@H](CC[C@H]1CN([C@@H](C)c2ccc(Cl)cc2)C(=O)O1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2NO2.CH4/c1-14(16-4-8-18(22)9-5-16)3-12-20-13-24(21(25)26-20)15(2)17-6-10-19(23)11-7-17;/h4-11,14-15,20H,3,12-13H2,1-2H3;1H4/t14-,15+,20+;/m1./s1
InChIKeyFECXWWGHGYYANR-MGDWOKRKSA-N
XLogP7.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.37
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane 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 (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane?
The IUPAC name of (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane (CID 158004525) is (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane.
What is the SMILES notation for (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane?
The canonical SMILES for (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane is C.C[C@H](CC[C@H]1CN([C@@H](C)c2ccc(Cl)cc2)C(=O)O1)c1ccc(Cl)cc1.
What is the InChIKey of (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane?
The InChIKey is FECXWWGHGYYANR-MGDWOKRKSA-N. The full InChI is InChI=1S/C21H23Cl2NO2.CH4/c1-14(16-4-8-18(22)9-5-16)3-12-20-13-24(21(25)26-20)15(2)17-6-10-19(23)11-7-17;/h4-11,14-15,20H,3,12-13H2,1-2H3;1H4/t14-,15+,20+;/m1./s1.
What are the key properties of (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane?
(5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane has a molecular weight of 408.37 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-3-(4-chlorophenyl)butyl]-3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 158004525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).