tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C23H36N2O3Si — CID 11189251

IUPACtert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC1=NC(C)(C)CO1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O3Si/c1-9-18(29(7,8)19-13-11-10-12-14-19)15-25(21(26)28-22(2,3)4)16-20-24-23(5,6)17-27-20/h9-14H,15-17H2,1-8H3/b18-9-
InChIKeyZZHKINJAGPLVKO-NVMNQCDNSA-N
MW416.64 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 11189251) has the molecular formula C23H36N2O3Si and a molecular weight of 416.64 g/mol. Its IUPAC name is tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID11189251
Molecular FormulaC23H36N2O3Si
Molecular Weight416.64 g/mol
Exact Mass416.25
IUPAC Nametert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(CC1=NC(C)(C)CO1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O3Si/c1-9-18(29(7,8)19-13-11-10-12-14-19)15-25(21(26)28-22(2,3)4)16-20-24-23(5,6)17-27-20/h9-14H,15-17H2,1-8H3/b18-9-
InChIKeyZZHKINJAGPLVKO-NVMNQCDNSA-N
XLogP4.53
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 11189251) is tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(CC1=NC(C)(C)CO1)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is ZZHKINJAGPLVKO-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H36N2O3Si/c1-9-18(29(7,8)19-13-11-10-12-14-19)15-25(21(26)28-22(2,3)4)16-20-24-23(5,6)17-27-20/h9-14H,15-17H2,1-8H3/b18-9-.
What are the key properties of tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 416.64 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 11189251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).