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

C15H19NO2 — CID 102021368

IUPAC(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
SMILESCC1(C)COC(C[C@H](O)/C=C/c2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)10-13(17)9-8-12-6-4-3-5-7-12/h3-9,13,17H,10-11H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyJKUGQSNRPWEIOI-MMQHEFTJSA-N
MW245.32 g/mol
LogP2.66
Rot. Bonds4

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

(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol (PubChem CID 102021368) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
PubChem CID102021368
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol
SMILESCC1(C)COC(C[C@H](O)/C=C/c2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)10-13(17)9-8-12-6-4-3-5-7-12/h3-9,13,17H,10-11H2,1-2H3/b9-8+/t13-/m1/s1
InChIKeyJKUGQSNRPWEIOI-MMQHEFTJSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol with MolForge

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Related Compounds

(E)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-diphenylbut-3-en-2-ol
CID 102156142
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10869925
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533

Frequently Asked Questions

What is the IUPAC name of (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol?
The IUPAC name of (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol (CID 102021368) is (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol is CC1(C)COC(C[C@H](O)/C=C/c2ccccc2)=N1.
What is the InChIKey of (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol?
The InChIKey is JKUGQSNRPWEIOI-MMQHEFTJSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)11-18-14(16-15)10-13(17)9-8-12-6-4-3-5-7-12/h3-9,13,17H,10-11H2,1-2H3/b9-8+/t13-/m1/s1.
What are the key properties of (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol?
(E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol has a molecular weight of 245.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 102021368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).