tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate

C19H23NO4 — CID 101387560

IUPACtert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1O[C@H](c2ccco2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H23NO4/c1-19(2,3)23-18(21)20-15(12-14-8-5-4-6-9-14)13-17(24-20)16-10-7-11-22-16/h4-11,15,17H,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyFRZVOMWSJDSMGQ-RDJZCZTQSA-N
MW329.40 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate

tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate (PubChem CID 101387560) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate
PubChem CID101387560
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nametert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1O[C@H](c2ccco2)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H23NO4/c1-19(2,3)23-18(21)20-15(12-14-8-5-4-6-9-14)13-17(24-20)16-10-7-11-22-16/h4-11,15,17H,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyFRZVOMWSJDSMGQ-RDJZCZTQSA-N
XLogP4.50
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,5R)-5-benzyl-3-ethenyl-1,2-oxazolidine-2-carboxylate
CID 122214481
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl (4R)-4-benzyloxathiazolidine-3-carboxylate
CID 153378685
tert-butyl (3S,5R)-5-benzyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 71573510
tert-butyl (2R)-2-benzyl-5-methylpyrrolidine-1-carboxylate
CID 143159528
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl (5S)-3-(2,2-dimethylpropanoyl)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 53312072
tert-butyl 3,5-dibenzylpiperazine-1-carboxylate
CID 156757897
(2S,4S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 11012191
ditert-butyl (2S)-5-(furan-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57189785

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate (CID 101387560) is tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1O[C@H](c2ccco2)C[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is FRZVOMWSJDSMGQ-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(2,3)23-18(21)20-15(12-14-8-5-4-6-9-14)13-17(24-20)16-10-7-11-22-16/h4-11,15,17H,12-13H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate?
tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S)-3-benzyl-5-(furan-2-yl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 101387560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).