tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate

C17H23NO3 — CID 122214481

IUPACtert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate
SMILESC=C[C@H]1C[C@@H](Cc2ccccc2)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3/c1-5-14-12-15(11-13-9-7-6-8-10-13)21-18(14)16(19)20-17(2,3)4/h5-10,14-15H,1,11-12H2,2-4H3/t14-,15+/m0/s1
InChIKeyUCKJAMMXMXHGAM-LSDHHAIUSA-N
MW289.38 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate

tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate (PubChem CID 122214481) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate
PubChem CID122214481
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate
SMILESC=C[C@H]1C[C@@H](Cc2ccccc2)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO3/c1-5-14-12-15(11-13-9-7-6-8-10-13)21-18(14)16(19)20-17(2,3)4/h5-10,14-15H,1,11-12H2,2-4H3/t14-,15+/m0/s1
InChIKeyUCKJAMMXMXHGAM-LSDHHAIUSA-N
XLogP3.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-ethenyl-4-phenylpyrrolidine-1-carboxylate
CID 90383971
tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate
CID 101387560
tert-butyl (3S,5R)-5-benzyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 71573510
3-O-benzyl 7-O-tert-butyl (1R,5S)-6-oxa-3,7-diazabicyclo[3.2.1]octane-3,7-dicarboxylate
CID 177492695
1-O-tert-butyl 2-O-methyl (2S,3R,5R)-5-ethenyl-3-phenylpyrrolidine-1,2-dicarboxylate
CID 10664250
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (3S)-3-benzyl-2-oxo-5-prop-2-enyl-3H-1,4-oxazine-4-carboxylate
CID 57293423
tert-butyl 3,5-dibenzylpiperazine-1-carboxylate
CID 156757897
tert-butyl (4R)-4-benzyloxathiazolidine-3-carboxylate
CID 153378685
(2S,4S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 11012191
tert-butyl (2R,5S)-1-benzyl-5-ethenyl-4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 11415866
tert-butyl (2R)-2-benzyl-5-methylpyrrolidine-1-carboxylate
CID 143159528

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate (CID 122214481) is tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate is C=C[C@H]1C[C@@H](Cc2ccccc2)ON1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate?
The InChIKey is UCKJAMMXMXHGAM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-14-12-15(11-13-9-7-6-8-10-13)21-18(14)16(19)20-17(2,3)4/h5-10,14-15H,1,11-12H2,2-4H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate?
tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 122214481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).