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

C14H23NO4 — CID 135036905

IUPACtert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@@H]2C=CCO2)COC1(C)C
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(16)15-10(9-18-14(15,4)5)11-7-6-8-17-11/h6-7,10-11H,8-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyWWRAGCNUGDXMBS-DTIOYNMSSA-N
MW269.34 g/mol
LogP2.31
Rot. Bonds1

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

tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 135036905) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID135036905
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@@H]2C=CCO2)COC1(C)C
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(16)15-10(9-18-14(15,4)5)11-7-6-8-17-11/h6-7,10-11H,8-9H2,1-5H3/t10?,11-/m0/s1
InChIKeyWWRAGCNUGDXMBS-DTIOYNMSSA-N
XLogP2.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
CID 11042946
tert-butyl 4-[[(2S)-3,6-dihydro-2H-pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66895101
tert-butyl 4-(2-formylcyclopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139652465
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
(E)-3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 71040825
tert-butyl (4R)-4-[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 24828330
tert-butyl (4S)-2,2-dimethyl-4-oxaldehydoyl-1,3-oxazolidine-3-carboxylate
CID 10682569
tert-butyl (4R)-2,2-dimethyl-4-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]-1,3-oxazolidine-3-carboxylate
CID 10926675
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4S)-2,2-dimethyl-4-prop-2-enoyl-1,3-oxazolidine-3-carboxylate
CID 70678214
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
tert-butyl (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 135036905) is tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C([C@@H]2C=CCO2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WWRAGCNUGDXMBS-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)15-10(9-18-14(15,4)5)11-7-6-8-17-11/h6-7,10-11H,8-9H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2,5-dihydrofuran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135036905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).