tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate

C17H23NO4 — CID 85079451

IUPACtert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C=O)C(c2ccccc2)OC1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-13(11-19)14(21-17(18,4)5)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3
InChIKeyCFDANAWGFQCDPJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate (PubChem CID 85079451) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
PubChem CID85079451
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nametert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(C=O)C(c2ccccc2)OC1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-13(11-19)14(21-17(18,4)5)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3
InChIKeyCFDANAWGFQCDPJ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 77450449
(4S,5S)-3-acetyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-4-carbaldehyde
CID 18651250
tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 76781392
tert-butyl (4S,5S)-4-formyl-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11727798
tert-butyl (4R,5R)-4-[(E,5S)-5-[(5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-1,3-oxazolidin-4-yl]-5-hydroxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopent-1-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 168852820
tert-butyl (4R,5R)-4-[5-[(4R,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-1,3-oxazolidin-4-yl]-5-hydroxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopent-1-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 123906235
4-[4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]benzoic acid
CID 23570556
(4R,5S)-3-acetyl-2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine-4-carbaldehyde
CID 11055477
tert-butyl 4-[4-(4-methoxycarbonylphenyl)but-3-enyl]-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 77392057
tert-butyl (4R,5R)-2,2-dimethyl-4-[(Z)-4-(4-nitrophenyl)but-3-enyl]-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 66939909
tert-butyl 4-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
CID 10982913
tert-butyl (4R,5R)-2,2-dimethyl-4-[(E)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxobut-1-enyl]-5-phenyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4R,5R)-2,2-dimethyl-4-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxobutyl]-5-phenyl-1,3-oxazolidine-3-carboxylate;methane
CID 158258052

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate (CID 85079451) is tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(C=O)C(c2ccccc2)OC1(C)C.
What is the InChIKey of tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is CFDANAWGFQCDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-13(11-19)14(21-17(18,4)5)12-9-7-6-8-10-12/h6-11,13-14H,1-5H3.
What are the key properties of tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 85079451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).