2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole

C14H19NO — CID 15047542

IUPAC2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
SMILESCC1(c2ccccc2)C=NC(C(C)(C)C)O1
InChIInChI=1S/C14H19NO/c1-13(2,3)12-15-10-14(4,16-12)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKeyDCJHUJFUSXYELQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.38
Rot. Bonds1

About 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole

2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole (PubChem CID 15047542) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
PubChem CID15047542
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole
SMILESCC1(c2ccccc2)C=NC(C(C)(C)C)O1
InChIInChI=1S/C14H19NO/c1-13(2,3)12-15-10-14(4,16-12)11-8-6-5-7-9-11/h5-10,12H,1-4H3
InChIKeyDCJHUJFUSXYELQ-UHFFFAOYSA-N
XLogP3.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
(2S)-2-methyl-2-phenyloxirane
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(4S)-4-tert-butyl-2,2-dimethyl-5,5-diphenyl-1,3-oxazolidine
CID 102295089
tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
CID 101359961
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
trimethyl-(2-methyl-2-phenyl-3-propan-2-ylideneaziridin-1-yl)silane
CID 13448793
2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxaselenazine
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole (CID 15047542) is 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole is CC1(c2ccccc2)C=NC(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole?
The InChIKey is DCJHUJFUSXYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2,3)12-15-10-14(4,16-12)11-8-6-5-7-9-11/h5-10,12H,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole?
2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-5-phenyl-2H-1,3-oxazole is sourced from PubChem (CID 15047542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).