tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate

C15H25NO4 — CID 134884853

IUPACtert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1C=C[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C15H25NO4/c1-10-7-8-12(19-10)11-9-18-15(5,6)16(11)13(17)20-14(2,3)4/h7-8,10-12H,9H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyGSNNSMPXPFVLKA-SDDRHHMPSA-N
MW283.37 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134884853) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate
PubChem CID134884853
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1C=C[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)O1
InChIInChI=1S/C15H25NO4/c1-10-7-8-12(19-10)11-9-18-15(5,6)16(11)13(17)20-14(2,3)4/h7-8,10-12H,9H2,1-6H3/t10-,11-,12+/m0/s1
InChIKeyGSNNSMPXPFVLKA-SDDRHHMPSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate (CID 134884853) is tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate is C[C@H]1C=C[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is GSNNSMPXPFVLKA-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10-7-8-12(19-10)11-9-18-15(5,6)16(11)13(17)20-14(2,3)4/h7-8,10-12H,9H2,1-6H3/t10-,11-,12+/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-[(2R,5S)-5-methyl-2,5-dihydrofuran-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134884853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).