6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one

C16H24N2O2Si — CID 173401996

IUPAC6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESC[SiH](C)C12NC(c3ccccc3)OC1N(C(C)(C)C)C2=O
InChIInChI=1S/C16H24N2O2Si/c1-15(2,3)18-13(19)16(21(4)5)14(18)20-12(17-16)11-9-7-6-8-10-11/h6-10,12,14,17,21H,1-5H3
InChIKeyYEJLHAHEOCJUHA-UHFFFAOYSA-N
MW304.47 g/mol
LogP2.04
Rot. Bonds2

About 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one

6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one (PubChem CID 173401996) has the molecular formula C16H24N2O2Si and a molecular weight of 304.47 g/mol. Its IUPAC name is 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one
PubChem CID173401996
Molecular FormulaC16H24N2O2Si
Molecular Weight304.47 g/mol
Exact Mass304.16
IUPAC Name6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESC[SiH](C)C12NC(c3ccccc3)OC1N(C(C)(C)C)C2=O
InChIInChI=1S/C16H24N2O2Si/c1-15(2,3)18-13(19)16(21(4)5)14(18)20-12(17-16)11-9-7-6-8-10-11/h6-10,12,14,17,21H,1-5H3
InChIKeyYEJLHAHEOCJUHA-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one with MolForge

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Related Compounds

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CID 135070728
1,3-ditert-butyl-5-phenylimidazolidine-2,4-dione
CID 102410178
(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
CID 95561028
1-tert-butyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64955154
(4S)-1-tert-butyl-2-oxo-4-phenyl-3-prop-2-enylazetidine-3-carbonitrile
CID 171976218
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
3-phenyloxaziridine
CID 18523120
(3S)-3-phenyloxaziridine
CID 143593965
1-tert-butyl-3-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102287455
(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 176760746
2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
CID 139184480
2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
CID 139903355

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one (CID 173401996) is 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one is C[SiH](C)C12NC(c3ccccc3)OC1N(C(C)(C)C)C2=O.
What is the InChIKey of 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one?
The InChIKey is YEJLHAHEOCJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2Si/c1-15(2,3)18-13(19)16(21(4)5)14(18)20-12(17-16)11-9-7-6-8-10-11/h6-10,12,14,17,21H,1-5H3.
What are the key properties of 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one?
6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one has a molecular weight of 304.47 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-dimethylsilyl-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 173401996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).