(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

C28H27ClN2O6 — CID 71726438

IUPAC(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C28H27ClN2O6/c1-18(21-9-5-4-6-10-21)31-26(33)28(37-27(31)34,16-19-8-7-11-22(29)12-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
InChIKeyYMLSIGHWJXMFKX-KWMCUTETSA-N
MW522.99 g/mol
LogP4.69
Rot. Bonds9

About (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 71726438) has the molecular formula C28H27ClN2O6 and a molecular weight of 522.99 g/mol. Its IUPAC name is (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
PubChem CID71726438
Molecular FormulaC28H27ClN2O6
Molecular Weight522.99 g/mol
Exact Mass522.16
IUPAC Name(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C28H27ClN2O6/c1-18(21-9-5-4-6-10-21)31-26(33)28(37-27(31)34,16-19-8-7-11-22(29)12-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
InChIKeyYMLSIGHWJXMFKX-KWMCUTETSA-N
XLogP4.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.99
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (CID 71726438) is (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1.
What is the InChIKey of (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The InChIKey is YMLSIGHWJXMFKX-KWMCUTETSA-N. The full InChI is InChI=1S/C28H27ClN2O6/c1-18(21-9-5-4-6-10-21)31-26(33)28(37-27(31)34,16-19-8-7-11-22(29)12-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1.
What are the key properties of (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 522.99 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71726438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).