methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate

C15H19NO4 — CID 11346457

IUPACmethyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-10-12(14(18)19-4)16(15(2,3)20-10)13(17)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12+/m1/s1
InChIKeyIUHXLVQBGXHRSJ-PWSUYJOCSA-N
MW277.32 g/mol
LogP1.83
Rot. Bonds2

About methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate

methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 11346457) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID11346457
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-10-12(14(18)19-4)16(15(2,3)20-10)13(17)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12+/m1/s1
InChIKeyIUHXLVQBGXHRSJ-PWSUYJOCSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate 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-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
4-O-methyl 3-O-(2-methylpropyl) 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 68766442
methyl (4R,5R)-3-benzoyl-4-fluoro-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
CID 11277841
benzyl (4R,5S)-4-[methoxy(methyl)carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10830674
3-O-tert-butyl 5-O-methyl (4R,5S)-4-benzyl-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 70239636
3-O-tert-butyl 5-O-methyl (4S,5R)-4-benzyl-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
CID 11121633
(4S,5R)-3-[(2S)-2-amino-3-phenylpropanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 101482349
methyl (2S)-1-benzoyl-1-azaspiro[4.6]undecane-2-carboxylate
CID 102141683
dimethyl (3S,6S)-1,2-dibenzoyldiazinane-3,6-dicarboxylate
CID 10341495
dimethyl 1-benzoyl-3,3-dimethylaziridine-2,2-dicarboxylate
CID 166446380
methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate
CID 15885775
tert-butyl (4S,5S)-4-[(1-benzylpyrazol-3-yl)carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 96504366

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (CID 11346457) is methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)c1ccccc1.
What is the InChIKey of methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is IUHXLVQBGXHRSJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-12(14(18)19-4)16(15(2,3)20-10)13(17)11-8-6-5-7-9-11/h5-10,12H,1-4H3/t10-,12+/m1/s1.
What are the key properties of methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-3-benzoyl-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 11346457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).