(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione

C27H24N2O4 — CID 71550119

IUPAC(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2Cc3ccccc3C2)C1=O
InChIInChI=1S/C27H24N2O4/c1-19(21-12-6-3-7-13-21)29-25(31)27(33-26(29)32,16-20-10-4-2-5-11-20)24(30)28-17-22-14-8-9-15-23(22)18-28/h2-15,19H,16-18H2,1H3/t19-,27-/m1/s1
InChIKeyDDKWVFUFOHVKGG-XHCCPWGMSA-N
MW440.50 g/mol
LogP4.25
Rot. Bonds5

About (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71550119) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
PubChem CID71550119
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2Cc3ccccc3C2)C1=O
InChIInChI=1S/C27H24N2O4/c1-19(21-12-6-3-7-13-21)29-25(31)27(33-26(29)32,16-20-10-4-2-5-11-20)24(30)28-17-22-14-8-9-15-23(22)18-28/h2-15,19H,16-18H2,1H3/t19-,27-/m1/s1
InChIKeyDDKWVFUFOHVKGG-XHCCPWGMSA-N
XLogP4.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione (CID 71550119) is (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2Cc3ccccc3C2)C1=O.
What is the InChIKey of (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is DDKWVFUFOHVKGG-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-19(21-12-6-3-7-13-21)29-25(31)27(33-26(29)32,16-20-10-4-2-5-11-20)24(30)28-17-22-14-8-9-15-23(22)18-28/h2-15,19H,16-18H2,1H3/t19-,27-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-5-(1,3-dihydroisoindole-2-carbonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).