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

C16H21NO2 — CID 11021597

IUPAC(E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(C)(C)O)=N1
InChIInChI=1S/C16H21NO2/c1-15(2)11-19-14(17-15)13(16(3,4)18)10-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3/b13-10-
InChIKeyXJPXUNMUQSARJT-RAXLEYEMSA-N
MW259.35 g/mol
LogP3.05
Rot. Bonds3

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

(E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol (PubChem CID 11021597) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol
PubChem CID11021597
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol
SMILESCC1(C)COC(/C(=C/c2ccccc2)C(C)(C)O)=N1
InChIInChI=1S/C16H21NO2/c1-15(2)11-19-14(17-15)13(16(3,4)18)10-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3/b13-10-
InChIKeyXJPXUNMUQSARJT-RAXLEYEMSA-N
XLogP3.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{2-[(E)-2-phenylvinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol
CID 1511175
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methoxy-2-phenylethenyl)-
CID 6445996
[(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-dienyl)-5-vinyl-4,5-dihydro-oxazol-4-yl]-methanol
CID 44394681
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394873
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
CID 101238976
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10869925
4,4-dimethyl-2-[(E)-1-phenylprop-1-en-2-yl]-5H-1,3-oxazole
CID 10889289
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10913177
4,4-dimethyl-2-[(Z)-1-phenylprop-1-en-2-yl]-5H-1,3-oxazole
CID 10965907
(Z)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol
CID 11043480

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol (CID 11021597) is (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol is CC1(C)COC(/C(=C/c2ccccc2)C(C)(C)O)=N1.
What is the InChIKey of (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol?
The InChIKey is XJPXUNMUQSARJT-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H21NO2/c1-15(2)11-19-14(17-15)13(16(3,4)18)10-12-8-6-5-7-9-12/h5-10,18H,11H2,1-4H3/b13-10-.
What are the key properties of (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol?
(E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol has a molecular weight of 259.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 11021597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).