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

C27H26N2O5 — CID 71727734

IUPAC(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-19(22-11-7-4-8-12-22)29-25(31)27(34-26(29)32,17-20-9-5-3-6-10-20)24(30)28-18-21-13-15-23(33-2)16-14-21/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
InChIKeyQRGYLDUMOLMZRF-XHCCPWGMSA-N
MW458.51 g/mol
LogP4.03
Rot. Bonds8

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

(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 71727734) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
PubChem CID71727734
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H26N2O5/c1-19(22-11-7-4-8-12-22)29-25(31)27(34-26(29)32,17-20-9-5-3-6-10-20)24(30)28-18-21-13-15-23(33-2)16-14-21/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
InChIKeyQRGYLDUMOLMZRF-XHCCPWGMSA-N
XLogP4.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (CID 71727734) is (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is COc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1.
What is the InChIKey of (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The InChIKey is QRGYLDUMOLMZRF-XHCCPWGMSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-19(22-11-7-4-8-12-22)29-25(31)27(34-26(29)32,17-20-9-5-3-6-10-20)24(30)28-18-21-13-15-23(33-2)16-14-21/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1.
What are the key properties of (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-N-[(4-methoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71727734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).