3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole

C18H19NO2 — CID 102414963

IUPAC3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCC(C)(C)c1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2,3)15-11-9-13(10-12-15)16-19-21-17(20-16)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyWBWMGBRMLGJBHN-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.39
Rot. Bonds2

About 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole

3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole (PubChem CID 102414963) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
PubChem CID102414963
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole
SMILESCC(C)(C)c1ccc(C2=NOC(c3ccccc3)O2)cc1
InChIInChI=1S/C18H19NO2/c1-18(2,3)15-11-9-13(10-12-15)16-19-21-17(20-16)14-7-5-4-6-8-14/h4-12,17H,1-3H3
InChIKeyWBWMGBRMLGJBHN-UHFFFAOYSA-N
XLogP4.39
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-2H-1,3,4-oxadiazole
CID 70140730
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
CID 102401506
1-(4-tert-butylphenyl)-2-phenylaziridine
CID 24756001
4-(4-tert-butylphenyl)-6-phenyl-3-oxa-1-oxonia-2-silanidacyclohex-4-ene
CID 123676638
CID 171375456
CID 171375456
5-phenyl-2-[4-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 127262929

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole (CID 102414963) is 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole is CC(C)(C)c1ccc(C2=NOC(c3ccccc3)O2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole?
The InChIKey is WBWMGBRMLGJBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)15-11-9-13(10-12-15)16-19-21-17(20-16)14-7-5-4-6-8-14/h4-12,17H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole?
3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole has a molecular weight of 281.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-phenyl-1,4,2-dioxazole is sourced from PubChem (CID 102414963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).