tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate

C17H23NO4 — CID 124705218

IUPACtert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-14(21-11-17(18,4)5)13(19)12-9-7-6-8-10-12/h6-10,14H,11H2,1-5H3/t14-/m1/s1
InChIKeyNUFHEYKFCBZZBT-CQSZACIVSA-N
MW305.37 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 124705218) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID124705218
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)c2ccccc2)OCC1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-14(21-11-17(18,4)5)13(19)12-9-7-6-8-10-12/h6-10,14H,11H2,1-5H3/t14-/m1/s1
InChIKeyNUFHEYKFCBZZBT-CQSZACIVSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-4,4-dimethyl-2-[(R)-phenyl(phenylmethoxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 100920373
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
tert-butyl 1-benzoyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67286302
tert-butyl (4R)-2,2-dimethyl-4-(4-phenylmethoxybenzoyl)-1,3-oxazolidine-3-carboxylate
CID 11101682
tert-butyl (4S)-4-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91369582
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
tert-butyl 3-benzoyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 10784563
tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11775522
3-benzoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 90099790
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 76781392
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate (CID 124705218) is tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C(=O)c2ccccc2)OCC1(C)C.
What is the InChIKey of tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NUFHEYKFCBZZBT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-14(21-11-17(18,4)5)13(19)12-9-7-6-8-10-12/h6-10,14H,11H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 124705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).