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

C23H21NO4 — CID 69281903

IUPAC(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(-c2cccc([C@H]3NC(=O)O[C@@H]3c3cccc(OC)c3)c2)c1
InChIInChI=1S/C23H21NO4/c1-26-19-10-4-7-16(13-19)15-6-3-8-17(12-15)21-22(28-23(25)24-21)18-9-5-11-20(14-18)27-2/h3-14,21-22H,1-2H3,(H,24,25)/t21-,22-/m1/s1
InChIKeyBARYSKQMPAPPSX-FGZHOGPDSA-N
MW375.42 g/mol
LogP4.89
Rot. Bonds5

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

(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69281903) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69281903
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(-c2cccc([C@H]3NC(=O)O[C@@H]3c3cccc(OC)c3)c2)c1
InChIInChI=1S/C23H21NO4/c1-26-19-10-4-7-16(13-19)15-6-3-8-17(12-15)21-22(28-23(25)24-21)18-9-5-11-20(14-18)27-2/h3-14,21-22H,1-2H3,(H,24,25)/t21-,22-/m1/s1
InChIKeyBARYSKQMPAPPSX-FGZHOGPDSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one (CID 69281903) is (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one is COc1cccc(-c2cccc([C@H]3NC(=O)O[C@@H]3c3cccc(OC)c3)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BARYSKQMPAPPSX-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-19-10-4-7-16(13-19)15-6-3-8-17(12-15)21-22(28-23(25)24-21)18-9-5-11-20(14-18)27-2/h3-14,21-22H,1-2H3,(H,24,25)/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 375.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69281903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).