(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione

C32H24Cl2N2O6 — CID 139186084

IUPAC(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESO=C1O[C@@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.O=C1O[C@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/2C16H12ClNO3/c2*17-13-8-6-11(7-9-13)10-18-15(19)14(21-16(18)20)12-4-2-1-3-5-12/h2*1-9,14H,10H2/t2*14-/m10/s1
InChIKeyDEJRKOJJUALCGD-IKFJUQJOSA-N
MW603.46 g/mol
LogP7.12
Rot. Bonds6

About (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione

(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione (PubChem CID 139186084) has the molecular formula C32H24Cl2N2O6 and a molecular weight of 603.46 g/mol. Its IUPAC name is (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione
PubChem CID139186084
Molecular FormulaC32H24Cl2N2O6
Molecular Weight603.46 g/mol
Exact Mass602.10
IUPAC Name(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione
SMILESO=C1O[C@@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.O=C1O[C@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/2C16H12ClNO3/c2*17-13-8-6-11(7-9-13)10-18-15(19)14(21-16(18)20)12-4-2-1-3-5-12/h2*1-9,14H,10H2/t2*14-/m10/s1
InChIKeyDEJRKOJJUALCGD-IKFJUQJOSA-N
XLogP7.12
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.46
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione (CID 139186084) is (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione is O=C1O[C@@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.O=C1O[C@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
The InChIKey is DEJRKOJJUALCGD-IKFJUQJOSA-N. The full InChI is InChI=1S/2C16H12ClNO3/c2*17-13-8-6-11(7-9-13)10-18-15(19)14(21-16(18)20)12-4-2-1-3-5-12/h2*1-9,14H,10H2/t2*14-/m10/s1.
What are the key properties of (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione?
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione has a molecular weight of 603.46 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione;(5S)-3-[(4-chlorophenyl)methyl]-5-phenyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139186084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).