methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate

C17H23NO4 — CID 102337656

IUPACmethyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate
SMILESCCC[C@]1(C(=O)OC)C[C@@](C)(C=O)ON1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-4-10-17(15(20)21-3)12-16(2,13-19)22-18(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t16-,17+/m0/s1
InChIKeyGWGFJAYHKUEGFL-DLBZAZTESA-N
MW305.37 g/mol
LogP2.49
Rot. Bonds6

About methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate

methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate (PubChem CID 102337656) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate
PubChem CID102337656
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate
SMILESCCC[C@]1(C(=O)OC)C[C@@](C)(C=O)ON1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-4-10-17(15(20)21-3)12-16(2,13-19)22-18(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t16-,17+/m0/s1
InChIKeyGWGFJAYHKUEGFL-DLBZAZTESA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-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

methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
methyl (2S)-1-benzyl-2-(3-methoxy-3-oxopropyl)azetidine-2-carboxylate
CID 97294956
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
2-[(3S,5R)-2-benzyl-5-methyl-5-[(E)-(methylhydrazinylidene)methyl]-3-(2-methylpropyl)-1,2-oxazolidin-3-yl]ethanol
CID 58871541
methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 15314820
dimethyl 11-benzyl-14-oxa-11-azapentacyclo[6.5.1.02,7.09,13.010,12]tetradeca-2,4,6-triene-10,12-dicarboxylate
CID 101125503
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.1]heptane-1-carboxylate
CID 57467426
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate (CID 102337656) is methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate is CCC[C@]1(C(=O)OC)C[C@@](C)(C=O)ON1Cc1ccccc1.
What is the InChIKey of methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is GWGFJAYHKUEGFL-DLBZAZTESA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-10-17(15(20)21-3)12-16(2,13-19)22-18(17)11-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate?
methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 102337656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).