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

C15H19NO2 — CID 11107612

IUPAC3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol
SMILESC=C(C1=NC(C)(C)CO1)C(C)(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(13-16-14(2,3)10-18-13)15(4,17)12-8-6-5-7-9-12/h5-9,17H,1,10H2,2-4H3
InChIKeyGSCJNQKLIZOZQG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.66
Rot. Bonds3

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

3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol (PubChem CID 11107612) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol
PubChem CID11107612
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol
SMILESC=C(C1=NC(C)(C)CO1)C(C)(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(13-16-14(2,3)10-18-13)15(4,17)12-8-6-5-7-9-12/h5-9,17H,1,10H2,2-4H3
InChIKeyGSCJNQKLIZOZQG-UHFFFAOYSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
(2-Phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 338264
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
4-Oxazolemethanol, 4,5-dihydro-2-phenyl-, (4R)-
CID 11019399
4,4-Dimethyl-2-(2-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 10487889
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
4,4-dimethyl-2-(3,3,4,4-tetramethyl-2-phenyloxetan-2-yl)-5H-1,3-oxazole
CID 134880637
2-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 85943697
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-fluorophenyl]methanol
CID 20625415

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol?
The IUPAC name of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol (CID 11107612) is 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol.
What is the SMILES notation for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol?
The canonical SMILES for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol is C=C(C1=NC(C)(C)CO1)C(C)(O)c1ccccc1.
What is the InChIKey of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol?
The InChIKey is GSCJNQKLIZOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(13-16-14(2,3)10-18-13)15(4,17)12-8-6-5-7-9-12/h5-9,17H,1,10H2,2-4H3.
What are the key properties of 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol?
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol has a molecular weight of 245.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-2-ol is sourced from PubChem (CID 11107612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).