(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid

C23H19NO4 — CID 146572104

IUPAC(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1COC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c25-21(26)20-16-28-22(27)24(20)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,26)/t20-/m1/s1
InChIKeyOPCVYUCLADEOFY-HXUWFJFHSA-N
MW373.41 g/mol
LogP3.88
Rot. Bonds5

About (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid

(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 146572104) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
PubChem CID146572104
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1COC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO4/c25-21(26)20-16-28-22(27)24(20)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,26)/t20-/m1/s1
InChIKeyOPCVYUCLADEOFY-HXUWFJFHSA-N
XLogP3.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
(2S)-5-oxo-1-tritylpyrrolidine-2-carbonyl fluoride
CID 11824884
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
1-tritylazetidine-3-carboxylic acid
CID 53445406
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 130192161
4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepine-3-carboxylic acid
CID 84623806
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659
N-ethyl-3-methyl-2-oxo-N-phenyl-1,3-oxazolidine-4-carboxamide
CID 110649835
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115060250

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid (CID 146572104) is (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid is O=C(O)[C@H]1COC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is OPCVYUCLADEOFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19NO4/c25-21(26)20-16-28-22(27)24(20)23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,25,26)/t20-/m1/s1.
What are the key properties of (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid?
(4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-3-trityl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 146572104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).