(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione

C27H23N3O3 — CID 71550802

IUPAC(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(-c3ccccc3)[nH]2)C1=O
InChIInChI=1S/C27H23N3O3/c1-19(21-13-7-3-8-14-21)30-25(31)27(33-26(30)32,17-20-11-5-2-6-12-20)24-28-18-23(29-24)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3,(H,28,29)/t19-,27-/m1/s1
InChIKeyJNHLYPWCTQUAEJ-XHCCPWGMSA-N
MW437.50 g/mol
LogP5.25
Rot. Bonds6

About (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 71550802) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID71550802
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(-c3ccccc3)[nH]2)C1=O
InChIInChI=1S/C27H23N3O3/c1-19(21-13-7-3-8-14-21)30-25(31)27(33-26(30)32,17-20-11-5-2-6-12-20)24-28-18-23(29-24)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3,(H,28,29)/t19-,27-/m1/s1
InChIKeyJNHLYPWCTQUAEJ-XHCCPWGMSA-N
XLogP5.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione (CID 71550802) is (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione is C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(-c3ccccc3)[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is JNHLYPWCTQUAEJ-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-19(21-13-7-3-8-14-21)30-25(31)27(33-26(30)32,17-20-11-5-2-6-12-20)24-28-18-23(29-24)22-15-9-4-10-16-22/h2-16,18-19H,17H2,1H3,(H,28,29)/t19-,27-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-phenylethyl]-5-(5-phenyl-1H-imidazol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).