phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate

C27H28N2O4Si — CID 170545487

IUPACphenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
SMILESCC(C)(C)[Si](OCc1cc(NC(=O)Oc2ccccc2)on1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O4Si/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(33-29-21)28-26(30)32-22-13-7-4-8-14-22/h4-19H,20H2,1-3H3,(H,28,30)
InChIKeyCSYNRGIYZGRPIO-UHFFFAOYSA-N
MW472.62 g/mol
LogP5.36
Rot. Bonds7

About phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate

phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate (PubChem CID 170545487) has the molecular formula C27H28N2O4Si and a molecular weight of 472.62 g/mol. Its IUPAC name is phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
PubChem CID170545487
Molecular FormulaC27H28N2O4Si
Molecular Weight472.62 g/mol
Exact Mass472.18
IUPAC Namephenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
SMILESCC(C)(C)[Si](OCc1cc(NC(=O)Oc2ccccc2)on1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O4Si/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(33-29-21)28-26(30)32-22-13-7-4-8-14-22/h4-19H,20H2,1-3H3,(H,28,30)
InChIKeyCSYNRGIYZGRPIO-UHFFFAOYSA-N
XLogP5.36
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66894293
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
phenyl N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-pyridinyl]carbamate
CID 86676146

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate (CID 170545487) is phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate is CC(C)(C)[Si](OCc1cc(NC(=O)Oc2ccccc2)on1)(c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate?
The InChIKey is CSYNRGIYZGRPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4Si/c1-27(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-21-19-25(33-29-21)28-26(30)32-22-13-7-4-8-14-22/h4-19H,20H2,1-3H3,(H,28,30).
What are the key properties of phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate?
phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate has a molecular weight of 472.62 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate is sourced from PubChem (CID 170545487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).