(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one

C20H14Cl2N2O2 — CID 69282179

IUPAC(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@@H](c2cc(Cl)ccc2Cl)O1
InChIInChI=1S/C20H14Cl2N2O2/c21-15-6-7-17(22)16(9-15)19-18(24-20(25)26-19)14-8-13(10-23-11-14)12-4-2-1-3-5-12/h1-11,18-19H,(H,24,25)/t18-,19+/m0/s1
InChIKeyZIDKTKACBXYEHZ-RBUKOAKNSA-N
MW385.25 g/mol
LogP5.58
Rot. Bonds3

About (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one

(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 69282179) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID69282179
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@@H](c2cc(Cl)ccc2Cl)O1
InChIInChI=1S/C20H14Cl2N2O2/c21-15-6-7-17(22)16(9-15)19-18(24-20(25)26-19)14-8-13(10-23-11-14)12-4-2-1-3-5-12/h1-11,18-19H,(H,24,25)/t18-,19+/m0/s1
InChIKeyZIDKTKACBXYEHZ-RBUKOAKNSA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one (CID 69282179) is (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@@H](c2cc(Cl)ccc2Cl)O1.
What is the InChIKey of (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is ZIDKTKACBXYEHZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c21-15-6-7-17(22)16(9-15)19-18(24-20(25)26-19)14-8-13(10-23-11-14)12-4-2-1-3-5-12/h1-11,18-19H,(H,24,25)/t18-,19+/m0/s1.
What are the key properties of (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 385.25 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69282179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).