(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol

C21H23NO2 — CID 102156142

IUPAC(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
SMILESCC1(C)COC(CC(O)(/C=C/c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H23NO2/c1-20(2)16-24-19(22-20)15-21(23,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,23H,15-16H2,1-2H3/b14-13+
InChIKeyJZIAJEWNNBAGFZ-BUHFOSPRSA-N
MW321.42 g/mol
LogP4.18
Rot. Bonds5

About (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol

(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol (PubChem CID 102156142) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
PubChem CID102156142
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
SMILESCC1(C)COC(CC(O)(/C=C/c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C21H23NO2/c1-20(2)16-24-19(22-20)15-21(23,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,23H,15-16H2,1-2H3/b14-13+
InChIKeyJZIAJEWNNBAGFZ-BUHFOSPRSA-N
XLogP4.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
CID 102021368
(E,2S)-1-(3-methyl-1,2-oxazol-5-yl)-2,4-diphenylbut-3-en-2-ol
CID 852777
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol
CID 92857433
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10869925
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 13425598
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
CID 100942786

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol (CID 102156142) is (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol is CC1(C)COC(CC(O)(/C=C/c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol?
The InChIKey is JZIAJEWNNBAGFZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H23NO2/c1-20(2)16-24-19(22-20)15-21(23,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,23H,15-16H2,1-2H3/b14-13+.
What are the key properties of (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol?
(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol has a molecular weight of 321.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 102156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).