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

C15H19NO2 — CID 13144020

IUPAC1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol
SMILESC=CCC(O)(C1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-10-15(17,12-8-6-5-7-9-12)13-16-14(2,3)11-18-13/h4-9,17H,1,10-11H2,2-3H3
InChIKeyNOCJILMRUAOHMY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.66
Rot. Bonds4

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

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol (PubChem CID 13144020) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol
PubChem CID13144020
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol
SMILESC=CCC(O)(C1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-10-15(17,12-8-6-5-7-9-12)13-16-14(2,3)11-18-13/h4-9,17H,1,10-11H2,2-3H3
InChIKeyNOCJILMRUAOHMY-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-2-(3,3,4,4-tetramethyl-2-phenyloxetan-2-yl)-5H-1,3-oxazole
CID 134880637
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
2-(2-ethyl-3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 12969918
1-Ethoxy-2-phenyl-2-propanol
CID 13512557
Ethyl 2-hydroxy-2-phenylpropanimidate
CID 13947276
2-[(2S,3R)-2,3-dimethyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 15402864
2-[(2S,3R)-3-deuterio-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 15472098
4,4-dimethyl-2-[(2S,3R)-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 100931875
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4,4-dimethyl-3-phenylpent-1-en-3-ol
CID 101238976
4,4-dimethyl-2-[(2S,3S)-2-methyl-3-(4-methylphenyl)oxiran-2-yl]-5H-1,3-oxazole
CID 101717469
4,4-dimethyl-2-[(2S,3R)-2-methyl-3-phenyloxiran-2-yl]-5H-1,3-oxazole
CID 102378790
(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
CID 134931420

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol (CID 13144020) is 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol is C=CCC(O)(C1=NC(C)(C)CO1)c1ccccc1.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol?
The InChIKey is NOCJILMRUAOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-10-15(17,12-8-6-5-7-9-12)13-16-14(2,3)11-18-13/h4-9,17H,1,10-11H2,2-3H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol?
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-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 1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 13144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).