tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate

C19H35N3O6Si — CID 85336683

IUPACtert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)c1nn(COCC[Si](C)(C)C)c(=O)o1
InChIInChI=1S/C19H35N3O6Si/c1-13(2)11-14(20-17(24)28-19(3,4)5)15(23)16-21-22(18(25)27-16)12-26-9-10-29(6,7)8/h13-14H,9-12H2,1-8H3,(H,20,24)
InChIKeyDZSNRJHOJPGXHG-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.27
Rot. Bonds10

About tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate

tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate (PubChem CID 85336683) has the molecular formula C19H35N3O6Si and a molecular weight of 429.59 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate
PubChem CID85336683
Molecular FormulaC19H35N3O6Si
Molecular Weight429.59 g/mol
Exact Mass429.23
IUPAC Nametert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)c1nn(COCC[Si](C)(C)C)c(=O)o1
InChIInChI=1S/C19H35N3O6Si/c1-13(2)11-14(20-17(24)28-19(3,4)5)15(23)16-21-22(18(25)27-16)12-26-9-10-29(6,7)8/h13-14H,9-12H2,1-8H3,(H,20,24)
InChIKeyDZSNRJHOJPGXHG-UHFFFAOYSA-N
XLogP3.27
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-[[(2S)-1-(4-ethyl-5-oxo-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10183941
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
(4-methylphenyl)methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 51340785
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 58760371
tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate
CID 46917856
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
(2S)-3-[2-carbamoyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170607207
(2,3,4,5,6-pentafluorophenyl) (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 22818436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate (CID 85336683) is tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)c1nn(COCC[Si](C)(C)C)c(=O)o1.
What is the InChIKey of tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate?
The InChIKey is DZSNRJHOJPGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O6Si/c1-13(2)11-14(20-17(24)28-19(3,4)5)15(23)16-21-22(18(25)27-16)12-26-9-10-29(6,7)8/h13-14H,9-12H2,1-8H3,(H,20,24).
What are the key properties of tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate?
tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate has a molecular weight of 429.59 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-oxo-1-[5-oxo-4-(2-trimethylsilylethoxymethyl)-1,3,4-oxadiazol-2-yl]pentan-2-yl]carbamate is sourced from PubChem (CID 85336683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).