(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide

C26H25N3O4 — CID 93202146

IUPAC(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C26H25N3O4/c1-2-27-25(31)22-23(33-26(32)29(22)17-18-10-5-3-6-11-18)20-14-9-15-21(16-20)28-24(30)19-12-7-4-8-13-19/h3-16,22-23H,2,17H2,1H3,(H,27,31)(H,28,30)/t22-,23+/m0/s1
InChIKeyXHUAMWYGPSSHRL-XZOQPEGZSA-N
MW443.50 g/mol
LogP4.14
Rot. Bonds7

About (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide

(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202146) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID93202146
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C26H25N3O4/c1-2-27-25(31)22-23(33-26(32)29(22)17-18-10-5-3-6-11-18)20-14-9-15-21(16-20)28-24(30)19-12-7-4-8-13-19/h3-16,22-23H,2,17H2,1H3,(H,27,31)(H,28,30)/t22-,23+/m0/s1
InChIKeyXHUAMWYGPSSHRL-XZOQPEGZSA-N
XLogP4.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93201973
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841060
5-(3-benzamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021322
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 93202513
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
(4S,5S)-N,3-dibenzyl-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202179
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202166
(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202500

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202146) is (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide is CCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XHUAMWYGPSSHRL-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-2-27-25(31)22-23(33-26(32)29(22)17-18-10-5-3-6-11-18)20-14-9-15-21(16-20)28-24(30)19-12-7-4-8-13-19/h3-16,22-23H,2,17H2,1H3,(H,27,31)(H,28,30)/t22-,23+/m0/s1.
What are the key properties of (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).