tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane

C23H24N2O3Si — CID 71517775

IUPACtert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1OC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22(28-25)18-14-16-19(17-15-18)24(26)27/h4-17,22H,1-3H3
InChIKeySXTVYEXBZAYKBC-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.40
Rot. Bonds5

About tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane

tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane (PubChem CID 71517775) has the molecular formula C23H24N2O3Si and a molecular weight of 404.54 g/mol. Its IUPAC name is tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane
PubChem CID71517775
Molecular FormulaC23H24N2O3Si
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Nametert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1OC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22(28-25)18-14-16-19(17-15-18)24(26)27/h4-17,22H,1-3H3
InChIKeySXTVYEXBZAYKBC-UHFFFAOYSA-N
XLogP4.40
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
CID 11753648
(2R,3R)-1-[(R)-tert-butylsulfinyl]-2-(4-nitrophenyl)-3-phenylaziridine
CID 135059647
(2S,4S)-2-(4-nitrophenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477658
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
2,2,4-trimethyl-5-(4-nitrophenyl)-1,3-dioxolane
CID 131850091
2-methyl-6-(4-nitrophenyl)-4-phenyl-1,2,4,5-tetrazinan-3-one
CID 10064157
2-hydroxy-2-methylpropanamide;nitrobenzene
CID 174384140
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
[(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
CID 68917211
calcium nitrobenzene
CID 67916702
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane?
The IUPAC name of tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane (CID 71517775) is tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)N1OC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane?
The InChIKey is SXTVYEXBZAYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3Si/c1-23(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22(28-25)18-14-16-19(17-15-18)24(26)27/h4-17,22H,1-3H3.
What are the key properties of tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane?
tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane has a molecular weight of 404.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane is sourced from PubChem (CID 71517775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).