(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine

C21H27NO — CID 102295089

IUPAC(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](C(C)(C)C)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H27NO/c1-19(2,3)18-21(23-20(4,5)22-18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,22H,1-5H3/t18-/m0/s1
InChIKeyMIZMQIKRIRPZQU-SFHVURJKSA-N
MW309.45 g/mol
LogP4.70
Rot. Bonds2

About (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine

(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine (PubChem CID 102295089) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine
PubChem CID102295089
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine
SMILESCC1(C)N[C@@H](C(C)(C)C)C(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C21H27NO/c1-19(2,3)18-21(23-20(4,5)22-18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,22H,1-5H3/t18-/m0/s1
InChIKeyMIZMQIKRIRPZQU-SFHVURJKSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3aS,8aS)-6-tert-butyl-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 162462396
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
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3-methyl-3-phenyl-1,2-oxazolidine
CID 155128111
3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
CID 15047542
2-tert-butyl-2-phenylpyrrolidine
CID 66465844
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CID 11376555
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
CID 14959257
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine (CID 102295089) is (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine is CC1(C)N[C@@H](C(C)(C)C)C(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine?
The InChIKey is MIZMQIKRIRPZQU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27NO/c1-19(2,3)18-21(23-20(4,5)22-18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,18,22H,1-5H3/t18-/m0/s1.
What are the key properties of (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine?
(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine has a molecular weight of 309.45 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 102295089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).