2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine

C14H21NO — CID 139903355

IUPAC2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
SMILESCC(C)(C)N1OC(c2ccccc2)C1(C)C
InChIInChI=1S/C14H21NO/c1-13(2,3)15-14(4,5)12(16-15)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyVAUQJURNBHAOFL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.55
Rot. Bonds1

About 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine

2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine (PubChem CID 139903355) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
PubChem CID139903355
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine
SMILESCC(C)(C)N1OC(c2ccccc2)C1(C)C
InChIInChI=1S/C14H21NO/c1-13(2,3)15-14(4,5)12(16-15)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyVAUQJURNBHAOFL-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3-phenyloxaziridine;ethane
CID 91476146
2-ethenyl-2-methyl-3-phenyloxirane
CID 12508185
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane
CID 139121340
2-[dibromo-[dibromo-(2-methyl-3-phenyloxiran-2-yl)methoxy]methyl]-2-methyl-3-phenyloxirane
CID 134607099
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
CID 102401506
(3R)-1-tert-butylsulfinyl-2,2-dimethyl-3-phenylaziridine
CID 102254705
CID 53232340
CID 53232340
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656
(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
CID 10083371

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine?
The IUPAC name of 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine (CID 139903355) is 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine.
What is the SMILES notation for 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine?
The canonical SMILES for 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine is CC(C)(C)N1OC(c2ccccc2)C1(C)C.
What is the InChIKey of 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine?
The InChIKey is VAUQJURNBHAOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2,3)15-14(4,5)12(16-15)11-9-7-6-8-10-11/h6-10,12H,1-5H3.
What are the key properties of 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine?
2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine has a molecular weight of 219.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethyl-4-phenyloxazetidine is sourced from PubChem (CID 139903355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).