(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid

C23H28N2O6 — CID 57320410

IUPAC(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid
SMILESCOc1ccc([C@@]2(C(=O)O)OCC(c3ccccc3)N2C(=O)NC(C)(C)C)c(OC)c1
InChIInChI=1S/C23H28N2O6/c1-22(2,3)24-21(28)25-18(15-9-7-6-8-10-15)14-31-23(25,20(26)27)17-12-11-16(29-4)13-19(17)30-5/h6-13,18H,14H2,1-5H3,(H,24,28)(H,26,27)/t18?,23-/m0/s1
InChIKeyDUZKIYPZPJNHAR-IMMUGOHXSA-N
MW428.49 g/mol
LogP3.52
Rot. Bonds5

About (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid

(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid (PubChem CID 57320410) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid
PubChem CID57320410
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid
SMILESCOc1ccc([C@@]2(C(=O)O)OCC(c3ccccc3)N2C(=O)NC(C)(C)C)c(OC)c1
InChIInChI=1S/C23H28N2O6/c1-22(2,3)24-21(28)25-18(15-9-7-6-8-10-15)14-31-23(25,20(26)27)17-12-11-16(29-4)13-19(17)30-5/h6-13,18H,14H2,1-5H3,(H,24,28)(H,26,27)/t18?,23-/m0/s1
InChIKeyDUZKIYPZPJNHAR-IMMUGOHXSA-N
XLogP3.52
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid 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 (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid (CID 57320410) is (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid is COc1ccc([C@@]2(C(=O)O)OCC(c3ccccc3)N2C(=O)NC(C)(C)C)c(OC)c1.
What is the InChIKey of (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is DUZKIYPZPJNHAR-IMMUGOHXSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-22(2,3)24-21(28)25-18(15-9-7-6-8-10-15)14-31-23(25,20(26)27)17-12-11-16(29-4)13-19(17)30-5/h6-13,18H,14H2,1-5H3,(H,24,28)(H,26,27)/t18?,23-/m0/s1.
What are the key properties of (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid?
(2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(tert-butylcarbamoyl)-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 57320410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).