2-tert-butyl-3-phenyloxaziridine;ethane

C13H21NO — CID 91476146

IUPAC2-tert-butyl-3-phenyloxaziridine;ethane
SMILESCC.CC(C)(C)N1OC1c1ccccc1
InChIInChI=1S/C11H15NO.C2H6/c1-11(2,3)12-10(13-12)9-7-5-4-6-8-9;1-2/h4-8,10H,1-3H3;1-2H3
InChIKeyCAUDMVDUTVTESS-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.76
Rot. Bonds1

About 2-tert-butyl-3-phenyloxaziridine;ethane

2-tert-butyl-3-phenyloxaziridine;ethane (PubChem CID 91476146) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-tert-butyl-3-phenyloxaziridine;ethane.

Molecular Properties

Compound Name2-tert-butyl-3-phenyloxaziridine;ethane
PubChem CID91476146
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-tert-butyl-3-phenyloxaziridine;ethane
SMILESCC.CC(C)(C)N1OC1c1ccccc1
InChIInChI=1S/C11H15NO.C2H6/c1-11(2,3)12-10(13-12)9-7-5-4-6-8-9;1-2/h4-8,10H,1-3H3;1-2H3
InChIKeyCAUDMVDUTVTESS-UHFFFAOYSA-N
XLogP3.76
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
CID 139903355
2-tert-butyl-3-phenyl-3H-1,2-oxazole-5-carbonitrile
CID 71413093
3-(2,2-dimethylpropanoyl)-2-phenyl-1,3-oxazolidin-5-one
CID 2794083
diphenyliodanium;ethane;methane
CID 159636739
2-tert-butyl-4-(4-methylphenyl)-3-phenyl-5-propan-2-ylidene-1,2,4-oxadiazolidine
CID 134873544
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
CID 57172528
[(2-tert-butyl-3,5-diphenyl-3H-1,2-oxazol-4-yl)-methoxymethylidene]chromium
CID 15196241
ethane;2-phenyloxirane
CID 54171856
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
1,3-ditert-butyl-2-[(1,3-ditert-butyl-4-phenyl-1,3,2-diazasiletidin-2-yl)oxy]-4-phenyl-1,3,2-diazasiletidine
CID 161117601
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
2-(cyclopropylmethyl)-3-phenyloxaziridine
CID 18541875

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-phenyloxaziridine;ethane?
The IUPAC name of 2-tert-butyl-3-phenyloxaziridine;ethane (CID 91476146) is 2-tert-butyl-3-phenyloxaziridine;ethane.
What is the SMILES notation for 2-tert-butyl-3-phenyloxaziridine;ethane?
The canonical SMILES for 2-tert-butyl-3-phenyloxaziridine;ethane is CC.CC(C)(C)N1OC1c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-phenyloxaziridine;ethane?
The InChIKey is CAUDMVDUTVTESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-11(2,3)12-10(13-12)9-7-5-4-6-8-9;1-2/h4-8,10H,1-3H3;1-2H3.
What are the key properties of 2-tert-butyl-3-phenyloxaziridine;ethane?
2-tert-butyl-3-phenyloxaziridine;ethane has a molecular weight of 207.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-phenyloxaziridine;ethane is sourced from PubChem (CID 91476146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).