tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C24H32NO3P — CID 12036823

IUPACtert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CCP(c2ccccc2)c2ccccc2)COC1(C)C
InChIInChI=1S/C24H32NO3P/c1-23(2,3)28-22(26)25-19(18-27-24(25,4)5)16-17-29(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1
InChIKeyIQYAPCAQUQKIKH-IBGZPJMESA-N
MW413.50 g/mol
LogP4.88
Rot. Bonds5

About tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 12036823) has the molecular formula C24H32NO3P and a molecular weight of 413.50 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID12036823
Molecular FormulaC24H32NO3P
Molecular Weight413.50 g/mol
Exact Mass413.21
IUPAC Nametert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](CCP(c2ccccc2)c2ccccc2)COC1(C)C
InChIInChI=1S/C24H32NO3P/c1-23(2,3)28-22(26)25-19(18-27-24(25,4)5)16-17-29(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1
InChIKeyIQYAPCAQUQKIKH-IBGZPJMESA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (S)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate
CID 15083816
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
tert-butyl (2S)-2-[bis(2-methylphenyl)phosphanylmethyl]pyrrolidine-1-carboxylate
CID 135000059
(2S,4S)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-(t-butoxycarbonyl)pyrrolidine
CID 11731422
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
tert-butyl (4S)-4-[(E,1S)-1-[dimethyl(phenyl)silyl]hexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11656951
tert-butyl (2S)-2-(diphenylphosphanylmethyl)-2,5-dihydropyrrole-1-carboxylate
CID 132566679
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840127
CID 134952958
CID 134952958

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 12036823) is tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](CCP(c2ccccc2)c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IQYAPCAQUQKIKH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32NO3P/c1-23(2,3)28-22(26)25-19(18-27-24(25,4)5)16-17-29(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19H,16-18H2,1-5H3/t19-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(2-diphenylphosphanylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 12036823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).