(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid

C19H19NO4 — CID 11278795

IUPAC(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)N1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H19NO4/c1-19(2)20(16(12-24-19)18(22)23)17(21)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyLJGXDKNZEKOZTF-INIZCTEOSA-N
MW325.36 g/mol
LogP3.02
Rot. Bonds3

About (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid

(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 11278795) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID11278795
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](C(=O)O)N1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H19NO4/c1-19(2)20(16(12-24-19)18(22)23)17(21)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyLJGXDKNZEKOZTF-INIZCTEOSA-N
XLogP3.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-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 (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid (CID 11278795) is (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid is CC1(C)OC[C@@H](C(=O)O)N1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is LJGXDKNZEKOZTF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(2)20(16(12-24-19)18(22)23)17(21)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid?
(4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-3-(2-phenylbenzoyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 11278795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).